SCHEMBL2401353

SCHEMBL2401353

CC(C)=Cc1ccccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.52
CA12 O43570 3/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA4 P22748 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
HMGB1 P09429 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
TSHR P16473 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46

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
SCHEMBL8611275 0.82 ALDH1A1 (0.53) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL937372 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9068444 0.81 ALDH1A1 (0.45) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL405156 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL8058928 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL20916508 0.79 LMNA (0.53) ALDH1A1ALOX15CA1CA2CA9
SCHEMBL2517175 0.78 ALDH1A1 (0.56) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL9460025 0.78 FBP1 (0.59) ALDH1A1ALOX15CA12CA1CA2
SCHEMBL11411429 0.78 ALDH1A1 (0.51) ALDH1A1ALOX15KDM4EHPGDNAPRT
SCHEMBL8580453 0.78 ALDH1A1 (0.62) ALDH1A1ALOX15CA12CA1CA2

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
US-8012628-B2 Polymer electrochemical device KURARAY CO., LTD. (JP) 2011-09-06 US disclosed
US-20080014505-A1 POLYMER ELECTROCHEMICAL DEVICE KURARAY CO., LTD. (JP) 2008-01-17 US disclosed
EP-1870597-A2 Polymer electrochemical device Kuraray Co., Ltd. (JP) 2007-12-26 EP disclosed