SCHEMBL9639062

SCHEMBL9639062

Cc1cc(C(=O)c2cc(O)ccc2O)c(O)c(O)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
ALOX5 P09917 1/20 0.48
PTGS2 P35354 1/20 0.48
SIRT1 Q96EB6 2/20 0.46
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
CASP1 P29466 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL9639622 0.86 MEN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9639957 0.84 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL9639056 0.82 HDAC1 (0.55) CYP1A2HPGDALOX15CYP2C19CYP2C9
SCHEMBL3905124 0.81 CA12 (0.70) CA12CA1CA2CA7CA9
SCHEMBL6842050 0.78 ALDH1A1 (0.56) CYP1A2HPGDALOX15CYP2C19CYP2C9
SCHEMBL29375561 0.78 HDAC1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL759926 0.78 HDAC1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL9638915 0.76 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL10768130 0.76 FNTA (0.48) ALOX5CYP1A2HPGDALOX15CYP2C19
SCHEMBL9639982 0.76 SIRT1 (0.47) CA12CA1CA2CA7CA9

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-0227487-B1 POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., LTD. (JP) 1992-07-15 EP disclosed
US-5087548-A POSITIVE TYPE RADIATION-SENSITIVE RESIN COMPOSITION JAPAN SYNTHETIC RUBBER CO., INC. (JP) 1992-02-11 US disclosed