SCHEMBL9512059

SCHEMBL9512059

COC(=O)COc1ccc(CC(C)NS(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
PTGS2 P35354 1/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
POLB P06746 3/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
MAPK1 P28482 1/20 0.47
FPR2 P25090 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
SCHEMBL9510759 0.90 POLB (0.47) ALDH1A1SMN1; SMN2LMNAPOLBEGFR
SCHEMBL9510498 0.90 ADRB2 (0.52) ADRB2ADRB1ADRB3ALDH1A1CYP2C9
SCHEMBL9271296 0.87 MMP13 (0.54) GLAALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9271289 0.87 MMP13 (0.54) GLAALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL10476890 0.86 EGFR (0.51) ALDH1A1CYP2C9CYP2C19SMN1; SMN2LMNA
SCHEMBL9452116 0.85 POLB (0.54) GLAALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765312 0.84 ACACB (0.58) ALDH1A1SMN1; SMN2LMNAPOLB
SCHEMBL9512085 0.83 ALDH1A1 (0.53) ALDH1A1CYP2C9CYP2C19SMN1; SMN2POLB
Acetic Acid SCHEMBL7294029 0.82 POLB (0.52) GLAALDH1A1CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765267 0.81 ADAMTS4 (0.55) ALDH1A1SMN1; SMN2LMNAPOLB

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-0325245-B1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO (JP) 1993-10-20 EP disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed