SCHEMBL3680720

SCHEMBL3680720

NC(N)CC1CCCCCCC1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.42
CYP1A2 P05177 1/20 0.40
METAP1 P53582 1/20 0.39
ALOX5 P09917 1/20 0.38
EPHX1 P07099 1/20 0.36
DPP4 P27487 1/20 0.36
SLC1A3 P43003 2/20 0.35
SLC1A2 P43004 2/20 0.35
SLC1A1 P43005 2/20 0.35
CHRM5 P08912 2/20 0.35
ADRA2C P18825 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL453071 1.00 SIGMAR1 (0.42) SIGMAR1CYP1A2METAP1ALOX5EPHX1
SCHEMBL3670488 0.97
SCHEMBL20609443 0.91
SCHEMBL3924280 0.84
SCHEMBL10305516 0.82 DPP4 (0.43) SIGMAR1METAP1ALOX5EPHX1DPP4
SCHEMBL133227 0.78 TP53 (0.41) METAP1ALOX5
SCHEMBL12204090 0.78 CYP1A2 (0.37) SIGMAR1CYP1A2METAP1ALOX5
SCHEMBL526022 0.78 CYP1A2 (0.37) SIGMAR1CYP1A2METAP1ALOX5
SCHEMBL13717499 0.78 TP53 (0.41) METAP1ALOX5
SCHEMBL15858469 0.78 CYP1A2 (0.37) SIGMAR1CYP1A2METAP1ALOX5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed