SCHEMBL11098546

SCHEMBL11098546

Cc1ccc(O)c(-c2nc(OC(=O)O)cs2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GRK6 P43250 1/20 0.38
CSNK2A1 P68400 1/20 0.38
EIF4E P06730 3/20 0.37
IDO1 P14902 1/20 0.36
HTR2B P41595 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 2/20 0.34

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
SCHEMBL11124022 0.86 CYP19A1 (0.45) CYP19A1PRMT5WDR77ALDH1A1GRK6
SCHEMBL11102756 0.83 CYP19A1 (0.47) CYP19A1EIF4EIDO1LMNAGAA
SCHEMBL11100404 0.80 HTR2B (0.55) CYP19A1HTR2BGAAKDM4ENPC1
SCHEMBL9823942 0.78 ALDH1A1 (0.63) CYP19A1PRMT5WDR77ALDH1A1CSNK2A1
SCHEMBL11042509 0.77 ALDH1A1 (0.61) CYP19A1PRMT5WDR77ALDH1A1CSNK2A1
SCHEMBL11042587 0.77 ALDH1A1 (0.61) CYP19A1PRMT5WDR77ALDH1A1CSNK2A1
SCHEMBL11103900 0.77 CYP19A1 (0.38) CYP19A1PRMT5WDR77ALDH1A1GRK6
SCHEMBL27899614 0.76 POLB (0.40) CYP19A1PRMT5WDR77ALDH1A1EIF4E
SCHEMBL11042549 0.73 CYP19A1 (0.48) CYP19A1PRMT5WDR77ALDH1A1GRK6
SCHEMBL11125747 0.72 ALOX5 (0.54) CYP19A1ALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0033151-B1 HYDROXYPHENYL-THIAZOLE-THIAZOLINE AND -THIAZOLIDINE CARBOXYLIC ACIDS, PROCESS FOR THEIR PREPARATION AND THESE COMPOUNDS FOR USE IN INFLUENCING THE COLLAGEN METABOLISM HOECHST AKTIENGESELLSCHAFT (DE) 1984-05-02 EP disclosed
EP-0033151-A1 Hydroxyphenyl-thiazole-thiazoline and -thiazolidine carboxylic acids, process for their preparation and these compounds for use in influencing the collagen metabolism HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-05 EP disclosed