SCHEMBL11212019

SCHEMBL11212019

CCCCCCCCCCCCSC(N)CC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.48
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
CA2 P00918 1/20 0.38
OPRM1 P35372 1/20 0.37
DNM1 Q05193 8/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SPHK1 Q9NYA1 1/20 0.35
CES2 O00748 1/20 0.34

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
SCHEMBL18902448 0.98 EPHX1 (0.45) EPHX1TSHRTHRBCA2OPRM1
Ammonia Solution, Strong SCHEMBL27511582 0.95 EPHX1 (0.44) EPHX1TSHRTHRBCA2OPRM1
SCHEMBL7469750 0.93
SCHEMBL21314825 0.84 EPHX1 (0.47) EPHX1OPRM1SPHK1
SCHEMBL9244024 0.82 EPHX1 (0.50) EPHX1TSHRTHRBCA2MEN1
SCHEMBL7477601 0.79
SCHEMBL10879920 0.79
SCHEMBL28268814 0.79
SCHEMBL11574831 0.78 EPHX1 (0.55) EPHX1TSHRTHRBCA2OPRM1
SCHEMBL8850701 0.78 EPHX1 (0.55) EPHX1TSHRTHRBCA2OPRM1

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
EP-0007758-B1 ALKYL AMMONIUM IONOMERS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1983-03-30 EP disclosed
US-4173695-A THICKENERS, ADHESIVES, THERMOPLASTIC ELASTOMERS EXXON RESEARCH & ENGINEERING CO. (US) 1979-11-06 US disclosed