SCHEMBL9621823

SCHEMBL9621823

C=C(C)C(=O)Nc1cc(C(=O)O)ccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5A P29375 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CA12 O43570 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA6 P23280 1/20 0.47
▸ PTGS2 P35354 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ CA14 Q9ULX7 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.44
▸ GPR35 Q9HC97 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ HDAC1 Q13547 2/20 0.43
▸ APOBEC3A P31941 1/20 0.43

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
SCHEMBL9621666 0.87 KDM5A (0.53) KDM5AKDM4EPOLBMAPTCA12
SCHEMBL14339916 0.84 L3MBTL1 (0.52) KDM4EPOLBMAPTGAAL3MBTL1
SCHEMBL17968439 0.84 AKR1C3 (0.48) KDM4EGAATDP1GPR35NPC1
SCHEMBL31236129 0.83 KDM4E (0.60) KDM5AKDM4EPOLBMAPTCA12
SCHEMBL81134 0.83 KDM4E (0.60) KDM5AKDM4EPOLBMAPTCA12
SCHEMBL14339910 0.81 RAB9A (0.51) KDM4EMAPTTDP1GPR35HTT
SCHEMBL10864160 0.80 POLB (0.55) KDM4EPOLBMAPTGAAL3MBTL1
SCHEMBL14354726 0.80 KCNMA1 (0.55) POLBMAPTCA12CA1CA2
SCHEMBL8983170 0.79 KCNMA1 (0.57) KDM4EPOLBMAPTL3MBTL1HTT
SCHEMBL28218204 0.78 GPR35 (0.51) KDM4EPOLBMAPTCA12CA1

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-0323521-B1 CURABLE COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1992-03-18 — — EP disclosed
US-4920188-A (Meth)acrylate monomer; dental bonding agent MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-04-24 — — US disclosed
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