SCHEMBL473117

SCHEMBL473117

CCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCC)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.73
NPC1 O15118 9/20 0.73
SMN1; SMN2 Q16637 9/20 0.73
HPGD P15428 7/20 0.73
CYP1A2 P05177 3/20 0.73
CYP2C19 P33261 3/20 0.73
CYP2C9 P11712 2/20 0.73
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 3/20 0.59
CASP3 P42574 1/20 0.59
SENP8 Q96LD8 1/20 0.59
SENP7 Q9BQF6 1/20 0.59
SENP6 Q9GZR1 1/20 0.59
LMNA P02545 3/20 0.59
MAPT P10636 3/20 0.58
MAPK1 P28482 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
CASP1 P29466 1/20 0.58
MCL1 Q07820 1/20 0.58
NLRP3 Q96P20 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12637644 0.96 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1023753 0.96 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7570518 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1022067 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1952980 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1951874 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL473269 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1955495 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1951600 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL473193 0.94 RAB9A (0.66) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 82 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US claimed
WO-2023080257-A1 METHOD FOR PRODUCING ISOCYANATE COMPOUNDS, METHOD FOR PRODUCING CARBAMATE COMPOUNDS, METHOD FOR RECOVERING AMINE COMPOUNDS, AND ISOCYANATE COMPOSITION 旭化成株式会社 2023-05-11 WO disclosed
US-20220259380-A1 PROCESS FOR THE DECOMPOSITION OF POLYETHER-POLYURETHANE COVESTRO DEUTSCHLAND AG (DE) 2022-08-18 US disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-2592069-B1 METHOD OF PRODUCING TOLUENEDICARBAMATE AND METHOD OF PRODUCING TOLUENEDIISOCYANATE MITSUI CHEMICALS INC (JP) 2019-04-24 EP disclosed
EP-2679575-B1 PROCESS FOR PRODUCING CARBONYL COMPOUNDS ASAHI CHEMICAL IND (JP) 2019-04-10 EP disclosed
EP-2527297-B1 PROCESS FOR PRODUCTION OF ZINC TOLUENESULFONATE, ZINC TOLUENESULFONATE, AND PROCESS FOR PRODUCTION OF CARBAMATE MITSUI CHEMICALS INC (JP) 2018-11-21 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
US-4487713-A HEAT TREATMENT WITH TITANIUM, TIN, ANTIMONY OR ZIRCONIUM COMPOUND EXXON RESEARCH & ENGINEERING CO. (US) 1984-12-11 US disclosed
EP-0028724-B1 PROCESS FOR PREPARING ARYL ISOCYANATES BY THERMAL DECOMPOSITION OF ARYL URETHANES BASF Aktiengesellschaft (DE) 1984-09-12 EP disclosed
US-4330479-A ZINC OR ALUMINUM CATALYST BASF AKTIENGESELLSCHAFT (DE) 1982-05-18 US disclosed
EP-0028724-A1 Process for preparing aryl isocyanates by thermal decomposition of aryl urethanes BASF Aktiengesellschaft (DE) 1981-05-20 EP disclosed
US-4081472-A CATALYTIC, FROM A CARBAMATE MITSUI TOATSU CHEMICALS INC. (JA) 1978-03-28 US disclosed
US-4055629-A Process for the removal of selenium compounds from urethane solutions ATLANTIC RICHFIELD COMPANY (US) 1977-10-25 US disclosed
US-4041139-A FORMING A URETHANE-WATER-ALCOHOL MIXTURE, THEN CONTACTING WITH A HYDROCARBON ATLANTIC RICHFIELD COMPANY (US) 1977-08-09 US disclosed
US-4038375-A PROCESS FOR THE RECOVERY OF SELENIUM FROM SELENIUM-CONTAINING URETHANE SOLUTIONS ATLANTIC RICHFIELD COMPANY (US) 1977-07-26 US disclosed
US-4005056-A Process for the preparation of polyhydantoins and polyparanic acids BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US disclosed