SCHEMBL11234151

SCHEMBL11234151

Cc1onc(-c2ccccc2Cl)c1C[C]=O

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
HSD17B10 Q99714 1/20 0.53
CYP2C19 P33261 1/20 0.49
GPBAR1 Q8TDU6 6/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 1/20 0.48
ATM Q13315 1/20 0.47
HPGD P15428 2/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL11527240 0.84 L3MBTL1 (0.54) PTGS2GPBAR1MAPTLMNAKMT2A
SCHEMBL256686 0.82 PTGS1 (0.59) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL21119516 0.82 PTGS1 (0.59) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL10780275 0.79 ALDH1A1 (0.58) PTGS1PTGS2LMNAKMT2AALDH1A1
SCHEMBL27936756 0.79 CYP2C19 (0.60) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL10083918 0.78 PTGS1 (0.66) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL5242041 0.78 HSD17B10 (0.65) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL3724317 0.78 PTGS1 (0.57) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL5774888 0.77 CYP2C19 (0.58) PTGS1PTGS2HSD17B10CYP2C19GPBAR1
SCHEMBL10394013 0.75 PTGS1 (0.66) PTGS1PTGS2HSD17B10CYP2C19GPBAR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4351766-A Production of penicillins BRISTOL-MYERS COMPANY (US) 1982-09-28 US disclosed
US-4316016-A TRIMETHYLSILYL DERIVATIVES BRISTOL-MYERS COMPANY (US) 1982-02-16 US disclosed
US-4316017-A TRIMETHYLSILYL DERIVATIVES BRISTOL-MYERS COMPANY (US) 1982-02-16 US disclosed
US-4310458-A PRODUCTION OF AMOXYCILLIN AND AMPICILLIN BRISTOL-MYERS COMPANY (US) 1982-01-12 US disclosed
US-4297489-A CEPHALOSPORINS BRISTOL-MYERS COMPANY (US) 1981-10-27 US disclosed
US-4278600-A CARBONATION, ACID ACCEPTORS, SILATION BRISTOL-MYERS COMPANY (US) 1981-07-14 US disclosed
US-4240960-A INTERMEDIATE BRISTOL-MYERS COMPANY (US) 1980-12-23 US disclosed
US-4223135-A CARBONYLATION, ACYLATION BRISTOL-MYERS COMPANY (US) 1980-09-16 US disclosed
US-4193917-A LACTAM COMPOUND USED AS INTERMEDIATE GLAXO LABORATORIES, LIMITED (GB) 1980-03-18 US disclosed
US-4174318-A USING A TRIALKYL- OR TRIALKYLAMINOPHOSPHINE AS REDUCING AGENT GLAXO LABORATORIES LTD. (GB) 1979-11-13 US disclosed
US-4113591-A BROMINATION IN PRESENCE OF ULTRAVIOLET RADIATION, VISIBLE LIGHT, OR GAMMA RAYS GLAXO LABORATORIES LIMITED (GB) 1978-09-12 US disclosed
US-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 US disclosed