SCHEMBL11501468

SCHEMBL11501468

CC(C(=O)O)c1ccc(-c2cccs2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.61
CYP2C9 P11712 4/20 0.59
PTGS1 P23219 4/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
HPGD P15428 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
FFAR1 O14842 1/20 0.55
PPARG P37231 2/20 0.48
PPARA Q07869 2/20 0.48
AKR1C3 P42330 2/20 0.45
CXCR1 P25024 2/20 0.45
CXCR2 P25025 2/20 0.45
HDAC2 Q92769 2/20 0.45
ALB P02768 1/20 0.45
ESR1 P03372 1/20 0.45
ALOX5 P09917 1/20 0.45
RARB P10826 1/20 0.45
ADRB3 P13945 1/20 0.45

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
SCHEMBL27565320 0.88 FFAR1 (0.52) PTGS2CYP2C9PTGS1LMNAKDM4E
SCHEMBL31261569 0.86 PTGS1 (0.49) PTGS2CYP2C9PTGS1LMNAKDM4E
SCHEMBL6786159 0.80 FFAR1 (0.54) PTGS2CYP2C9PTGS1LMNAKDM4E
SCHEMBL6075859 0.78 LTA4H (0.52) CYP2C9KDM4EALDH1A1HPGDFFAR1
SCHEMBL917093 0.78 PTGS2 (0.87) PTGS2CYP2C9PTGS1LMNAAKR1C3
SCHEMBL24246003 0.77 LTA4H (0.50) CYP2C9KDM4EALDH1A1HPGDFFAR1
SCHEMBL27499863 0.76 FFAR1 (0.48) LMNAKDM4EALDH1A1FFAR1PPARG
SCHEMBL7826539 0.76 PTGS2 (1.00) PTGS2CYP2C9PTGS1LMNAHPGD
SCHEMBL1211557 0.76 PTGS2 (1.00) PTGS2CYP2C9PTGS1LMNAHPGD
Acetic Acid SCHEMBL27477993 0.76 KDM4E (0.52) CYP2C9LMNAKDM4EALDH1A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4230719-A Novel 2-[4-(3-methyl-2-thienyl)phenyl]propionic acid and pharmaceutically acceptable salt thereof and method for treating symptoms of inflammation and pain TOYAMA CHEMICAL CO., LTD. (JP) 1980-10-28 US disclosed