SCHEMBL16609758

SCHEMBL16609758

CCCCCCNC(C)N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.46
OPRM1 P35372 1/20 0.44
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SPHK1 Q9NYA1 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
ADH1B P00325 1/20 0.41
ADH1C P00326 1/20 0.41
ADH1A P07327 1/20 0.41
ADH4 P08319 1/20 0.41
ADH7 P40394 1/20 0.41
RRM1 P23921 1/20 0.40
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.40
DPP7 Q9UHL4 1/20 0.39

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
SCHEMBL3449809 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL3451356 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL27442331 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL3451378 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL3449861 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL10484484 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL24755099 1.00 EPHX1 (0.46) EPHX1OPRM1TSHRALDH1A1SPHK1
SCHEMBL4657304 0.97
SCHEMBL18602905 0.90
SCHEMBL180063 0.90

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
EP-3380538-A1 AMINE FOR CURABLE POLYMER COMPOSITIONS WITH HIGH PROCESS RELIABILITY Sika Technology AG (CH) 2018-10-03 EP disclosed
WO-2017089472-A1 AMINE FOR CURABLE POLYMER COMPOSITIONS WITH HIGH PROCESS RELIABILITY SIKA TECHNOLOGY AG (CH) 2017-06-01 WO disclosed
WO-2015048819-A1 ANTI-ALPHAVBETA1 INTEGRIN COMPOUNDS AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2015-04-02 WO disclosed