SCHEMBL705231

SCHEMBL705231

C[CH]OC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
PAM P19021 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP19A1 P11511 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL28725510 0.85 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL559684 0.82 ALDH1A1 (0.57) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL11445318 0.81 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL8904637 0.81 TDP1 (0.61) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL28238138 0.81 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
Methyl Alcohol SCHEMBL4364856 0.81 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL2906457 0.81 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL9387870 0.80 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL163579 0.80 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL28027308 0.79 TSHR (0.51) TSHRALDH1A1L3MBTL1MAPK1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0639195-B1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN SPA (IT) 1999-05-26 EP claimed
US-5587373-A ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-12-24 US claimed
EP-0337704-B1 Beta-lactam derivatives PHARMACIA SPA (IT) 1995-06-14 EP claimed
EP-0639195-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS PHARMACIA & UPJOHN S.p.A. (IT) 1995-02-22 EP claimed
WO-1994020504-A1 2-ACYLOXYCEPHEM DERIVATIVES AS ELASTASE INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1994-09-15 WO claimed
EP-0505413-B1 BETA-LACTAM DERIVATIVES ERBA CARLO SPA (IT) 1994-08-31 EP claimed
EP-0378604-B1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES ERBA CARLO SPA (IT) 1994-03-02 EP claimed
EP-0505413-A1 BETA-LACTAM DERIVATIVES. ERBA FARMITALIA (IT) 1992-09-30 EP claimed
US-5089489-A Enzyme inhibitors FARMITALIA CARLO ERBA S.R.L. (IT) 1992-02-18 US claimed
US-5077286-A Human leukocyte elastase inhibitor FARMITALIA CARLO ERBA S.R.L. (IT) 1991-12-31 US claimed
WO-1991009036-A1 BETA-LACTAM DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1991-06-27 WO claimed
US-4954493-A ENZYME INHIBITORS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-09-04 US claimed
EP-0378604-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES. ERBA CARLO SPA (IT) 1990-07-25 EP claimed
WO-1989010926-A1 1,1-DIOXO-CEPHEM-4-CARBOTHIOLIC ACID DERIVATIVES FARMITALIA CARLO ERBA S.R.L. (IT) 1989-11-16 WO claimed
EP-0337704-A2 Beta-lactam derivatives PHARMACIA S.p.A. (IT) 1989-10-18 EP claimed
US-10928727-B2 Actinic ray-sensitive or radiation-sensitive resin composition, actinic ray-sensitive or radiation-sensitive film, mask blank including actinic ray-sensitive or radiation-sensitive film, pattern forming method, and method for manufacturing FUJIFILM CORPORATION (JP) 2021-02-23 US disclosed
WO-2020032080-A1 COMPOUND, SALT OF COMPOUND, NEUROMODULATION AGENT, METHOD FOR EVALUATING NEUROMODULATION AGENT, METHOD FOR PRODUCING COMPOUND, AND METHOD FOR PRODUCING SALT OF COMPOUND 学校法人慶應義塾 2020-02-13 WO disclosed
US-4324892-A 7-(N-Substituted-2-phenylglycinamido)-3-substituted-3-cephem-4-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-13 US disclosed
US-4172198-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-10-23 US disclosed
US-3941791-A OPTICAL BRIGHTENER BASF AKTIENGESELLSCHAFT (DT) 1976-03-02 US disclosed