SCHEMBL5077381

SCHEMBL5077381

C1CCCNCCC1.c1ccc(COc2ccc3[nH]ccc3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
LTA4H P09960 1/20 0.48
NSD2 O96028 1/20 0.48
ABL1 P00519 1/20 0.48
PPARG P37231 1/20 0.48
RIN1 Q13671 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
SRD5A2 P31213 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
APP P05067 1/20 0.46
SLC6A2 P23975 8/20 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
SCHEMBL329575 0.89 ALOX5 (0.62) ALOX5LTA4HNSD2ABL1PPARG
Indole SCHEMBL15320969 0.88 ALOX5 (0.61) ALOX5LTA4HNSD2ABL1PPARG
SCHEMBL8228019 0.82 CYP2A6 (0.57) ALOX5LTA4HNSD2ABL1PPARG
SCHEMBL9525385 0.82 ALOX5 (0.53) ALOX5NSD2ABL1PPARGRIN1
Hexane SCHEMBL27537617 0.82 ALOX5 (0.53) ALOX5LTA4HNSD2ABL1PPARG
Pyridine SCHEMBL28518713 0.82 ALOX5 (0.53) ALOX5LTA4HNSD2ABL1PPARG
SCHEMBL707702 0.81 ALOX5 (0.62) ALOX5NSD2ABL1PPARGRIN1
SCHEMBL29463389 0.81 ALOX5 (0.62) ALOX5NSD2ABL1PPARGRIN1
SCHEMBL3901006 0.79 NPC1 (0.64) ALOX5NSD2ABL1PPARGRIN1
SCHEMBL2489895 0.77 LTA4H (0.51) ALOX5LTA4HNSD2ABL1PPARG

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-7427651-B2 Process for producing conjugated diene copolymer rubber JSR CORPORATION (JP) 2008-09-23 US disclosed
US-20070265397-A1 Process for Producing Conjugated Diene Copolymer Rubber JSR CORPORATION (JP) 2007-11-15 US disclosed