SCHEMBL4458070

SCHEMBL4458070

CCCOPc1cccc(C)c1C

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 1/20 0.35
MAPK1 P28482 1/20 0.34
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
LMNA P02545 1/20 0.32
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4451396 0.89 ALOX5 (0.34) HTR1BTRPA1ATMGAAMAPT
SCHEMBL4462607 0.85 TRPA1 (0.35) HTR1BMAPK1TRPA1ATMGAA
SCHEMBL4454265 0.74 TRPA1 (0.39) HTR1BTRPA1ATMMAPT
SCHEMBL28045051 0.72 TRPA1 (0.34) MAPK1TRPA1ATMGAAMAPT
SCHEMBL4450212 0.71 GABRA1 (0.35) MAPT
SCHEMBL4455062 0.71 ALOX5 (0.36)
SCHEMBL28226718 0.71 TRPA1 (0.37) HTR1BMAPK1TRPA1ATMGAA
SCHEMBL30492601 0.70 ACHE (0.39) MAPK1MAPT
SCHEMBL28227589 0.70 TLR8 (0.35) MAPK1TRPA1ATMGAAMAPT
SCHEMBL4458137 0.70 LTB4R (0.33)

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