SCHEMBL473193

SCHEMBL473193

CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.66
NPC1 O15118 7/20 0.66
HPGD P15428 7/20 0.66
SMN1; SMN2 Q16637 6/20 0.66
CYP1A2 P05177 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
ALDH1A1 P00352 5/20 0.55
LMNA P02545 3/20 0.55
MAPK1 P28482 2/20 0.55
KDM4E B2RXH2 3/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TSHR P16473 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.52
NLRP3 Q96P20 1/20 0.52
CASP1 P29466 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL1952980 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL473269 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL1022067 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL1955495 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL1951874 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL1951600 1.00 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL1023753 0.99 RAB9A (0.67) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL26886778 0.95 RAB9A (0.60) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL473117 0.94 RAB9A (0.73) RAB9ANPC1HPGDSMN1; SMN2CYP1A2
SCHEMBL12637644 0.91 RAB9A (0.68) RAB9ANPC1HPGDSMN1; SMN2CYP1A2

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 59 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
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-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2088137-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
EP-2088138-A1 PROCESS FOR PRODUCING ISOCYANATE Asahi Kasei Chemicals Corporation (JP) 2009-08-12 EP disclosed
US-5686645-A REACTION WITH ALCOHOL TO FORM CARBAMATE, TRANSITION METAL CATALYST ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1997-11-11 US disclosed
US-5155267-A Forming unsymmetric carbamates and ureas; reacting primary formamide with dialkyl amine or alcohol ARCO CHEMICAL TECHNOLOGY, L.P. (US) 1992-10-13 US disclosed
EP-0027940-B2 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1986-12-30 EP disclosed
EP-0027940-B1 PROCESS FOR PREPARING URETHANES BAYER AG (DE) 1983-09-14 EP disclosed
US-4290970-A Process for the manufacture of aromatic di- and/or polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 1981-09-22 US disclosed
US-4278805-A FROM AROMATIC AMINE, CARBAMATE AND ALCOHOL; METAL COMPOUND CATALYST BASF AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed
EP-0027940-A1 Process for preparing urethanes BAYER AG (DE) 1981-05-06 EP disclosed
US-3962302-A Production of isocyanates from esters of carbamic acids (urethanes) ATLANTIC RICHFIELD COMPANY (US) 1976-06-08 US disclosed