SCHEMBL11458752

SCHEMBL11458752

CC(C(=O)O)c1cc(Cl)c2ccccc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.60
AKR1C3 P42330 10/20 0.48
AKR1C2 P52895 10/20 0.48
PTGS1 P23219 6/20 0.48
CHRM1 P11229 1/20 0.48
PTGS2 P35354 6/20 0.46
MAPT P10636 2/20 0.44
CXCR1 P25024 2/20 0.44
CXCR2 P25025 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
SLC22A6 Q4U2R8 2/20 0.44
RECQL P46063 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
PMP22 Q01453 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL22242339 0.79 CYP2A6 (0.45) AKR1B1MAPTALDH1A1HSD17B10HIF1A
SCHEMBL11470668 0.78 AKR1B1 (0.57) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11780974 0.78 AKR1B1 (0.57) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11270273 0.75 AKR1B1 (1.00) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL11744482 0.75 AKR1B1 (0.53) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL28540948 0.74 AKR1B1 (0.58) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL1882695 0.74 AKR1B1 (0.55) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL12431128 0.74 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL1217681 0.74 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL10025981 0.74 AKR1B1 (0.69) AKR1B1AKR1C3AKR1C2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed