SCHEMBL9765297

SCHEMBL9765297

COc1ccc(C(C)CC(=O)O)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.61
NPSR1 Q6W5P4 1/20 0.48
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
TNF P01375 1/20 0.43
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
KMO O15229 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
SCHEMBL17760974 0.87 FFAR1 (0.47) FFAR1NPSR1TAS1R3TAS1R1ALDH1A1
SCHEMBL22630848 0.87 FFAR1 (0.47) FFAR1NPSR1TAS1R3TAS1R1ALDH1A1
SCHEMBL9513688 0.82 FFAR1 (0.56) FFAR1NPSR1TAS1R3TAS1R1LMNA
SCHEMBL15641272 0.80 AKR1C3 (0.63) TAS1R3TAS1R1ALDH1A1TSHRLMNA
SCHEMBL15641270 0.80 AKR1C3 (0.63) TAS1R3TAS1R1ALDH1A1TSHRLMNA
SCHEMBL7786568 0.79 WDR5 (0.46) FFAR1NPSR1POLBMAPTGAA
SCHEMBL13052228 0.79 ALDH1A1 (0.48) TAS1R3TAS1R1ALDH1A1LMNAMEN1
SCHEMBL14905538 0.78 TAS1R3 (0.46) FFAR1NPSR1TAS1R3TAS1R1ALDH1A1
Bromide SCHEMBL9765241 0.76 CSNK2A1 (0.41) TAS1R3TAS1R1ALDH1A1MEN1KMT2A
SCHEMBL7626560 0.76 LMNA (0.49) NPSR1TAS1R3TAS1R1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255728-B1 PHENOXYACETIC ACID COMPOUNDS, THEIR PREPARATION, PHARMACEUTICAL COMPOSITION AND USE TANABE SEIYAKU CO., LTD. (JP) 1991-11-27 EP disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed