SCHEMBL996787

SCHEMBL996787

O=C(O)c1cccc(C(S)CS)c1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.70
ENPEP Q07075 2/20 0.70
FOLH1 Q04609 5/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
AKR1C3 P42330 1/20 0.44
KMO O15229 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL11223866 0.86 ANPEP (0.60) ANPEPENPEPFOLH1CA12CA1
SCHEMBL21064044 0.78 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL997294 0.77 ANPEP (0.63) ANPEPENPEPFOLH1CA12CA1
SCHEMBL2957369 0.77 ANPEP (0.61) ANPEPENPEPFOLH1CA12CA1
SCHEMBL11604512 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL4406179 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL4406176 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL1237712 0.75 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL15524686 0.74 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1
SCHEMBL9843117 0.74 ANPEP (0.59) ANPEPENPEPFOLH1CA12CA1

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
US-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed