SCHEMBL4458129

SCHEMBL4458129

OCP(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
RECQL P46063 1/20 0.44
LTA4H P09960 3/20 0.41
TSHR P16473 2/20 0.39
KCNA3 P22001 1/20 0.39
ALOX15 P16050 1/20 0.38
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
CA4 P22748 1/20 0.36
NR1H2 P55055 1/20 0.36
BAX Q07812 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
SRC P12931 1/20 0.34
TTR P02766 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL8902684 0.79 LTA4H (0.43) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL685511 0.78 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL4458076 0.75 CA4 (0.42) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL11074250 0.75 KCNA3 (0.44) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL24159349 0.73 KMT2A (0.42) ALDH1A1LTA4HTSHRKCNA3CA4
SCHEMBL29940906 0.73 LTA4H (0.38) ALDH1A1RECQLLTA4HTSHRKCNA3
Alcohol SCHEMBL29217393 0.73 ALDH1A1 (0.43) ALDH1A1RECQLLTA4HTSHRKCNA3
Ethylene Glycol SCHEMBL16822397 0.73 ALDH1A1 (0.48) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL28530483 0.71 ALDH1A1 (0.41) ALDH1A1RECQLLTA4HTSHRKCNA3
SCHEMBL4456043 0.71 LTA4H (0.41) LTA4HTSHRKCNA3CA4LMNA

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed