SCHEMBL9575558

SCHEMBL9575558

N#Cc1ccccc1C(=O)c1ccccc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSTA1 P08263 2/20 0.49
LIG1 P18858 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.47
KDM4E B2RXH2 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
HMGB1 P09429 1/20 0.47
CA4 P22748 1/20 0.47
CA6 P23280 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
CA14 Q9ULX7 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 2/20 0.45
TSHR P16473 2/20 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
SCHEMBL2913776 0.90 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2CA1CA2
SCHEMBL28582452 0.87 FNTA (0.44) GSTA1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL11851267 0.85 CA1 (0.41) LIG1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL27796034 0.82 MEN1 (0.56) GSTA1ALDH1A1HPGDKDM4ESMN1; SMN2
2,2'-Dihydroxybenzphenone SCHEMBL18422 0.81 HPGD (0.67) GSTA1LIG1ALDH1A1HPGDKDM4E
2,2'-Dihydroxybenzphenone SCHEMBL29572496 0.81 HPGD (0.67) GSTA1LIG1ALDH1A1HPGDKDM4E
SCHEMBL9575703 0.79 MAPT (0.48) ALDH1A1KDM4ESMN1; SMN2MAPTTSHR
SCHEMBL7636142 0.79 TSHR (0.55) ALDH1A1HPGDKMT2ATSHRCYP1A2
SCHEMBL1325383 0.79 KDM4E (0.45) LIG1ALDH1A1HPGDKDM4ESMN1; SMN2
Salicylic Acid SCHEMBL27842389 0.79 ALDH1A1 (0.67) ALDH1A1HPGDKDM4ESMN1; SMN2CA12

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-0367671-B1 NOVEL BETA-D-PHENYLTHIOXYLOSIDES, THEIR METHOD OF PREPARATION AND THEIR USE AS PHARMACEUTICALS FOURNIER INDUSTRIE ET SANTE (FR) 1993-07-28 EP disclosed
US-4960758-A Antithrombotics FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-02 US disclosed
EP-0367671-A2 Novel beta-D-phenylthioxylosides, their method of preparation and their use as pharmaceuticals FOURNIER INDUSTRIE ET SANTE (FR) 1990-05-09 EP disclosed