SCHEMBL6230059

SCHEMBL6230059

COc1cc(C(=O)O)c2sccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 5/20 0.42
HPGD P15428 3/20 0.42
POLB P06746 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
CA6 P23280 1/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
APEX1 P27695 1/20 0.40

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
SCHEMBL6235314 0.78 CSNK2A1 (0.43) KDM4EALDH1A1POLBCA12CA1
SCHEMBL6231017 0.76 XDH (0.45) CDC25BALDH1A1POLBCA12CA1
SCHEMBL3646472 0.74 CYP1A2 (0.38) ALDH1A1GAA
SCHEMBL10368828 0.74 CA12 (0.42) KDM4EALDH1A1HPGDCA12CA1
SCHEMBL3808102 0.74 ALDH1A1 (0.40) KDM4EALDH1A1HPGDPOLBCA12
SCHEMBL3480049 0.73 TUBB4A (0.38) ALDH1A1GAA
SCHEMBL19731266 0.71 CA12 (0.51) KDM4EALDH1A1CA12CA1CA2
SCHEMBL4257583 0.71 SLC22A12 (0.64) CSNK2A1XDHSLC22A12
SCHEMBL10371795 0.70 NPC1 (0.50) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL1162404 0.70 CDC25B (0.80) CDC25BSMN1; SMN2KDM4EALDH1A1HPGD

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-0945450-B1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO (JP) 2005-05-11 EP disclosed
US-6069166-A INHIBITORY ACTIVITY AGAINST INFILTRATION OF EOSIONOPHILS, AND ARE USEFUL AS DRUGS FOR TREATING NASAL BLOCKAGE SHIONOGI & CO., LTD. (JP) 2000-05-30 US disclosed
EP-0945450-A1 FUSED HETEROCYCLIC BENZENECARBOXYLIC ACID AMIDE DERIVATIVES AND PGD2 ANTAGONISTS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 1999-09-29 EP disclosed