SCHEMBL997294

SCHEMBL997294

O=C(O)c1ccc(C(S)CS)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.63
TSHR P16473 3/20 0.50
ENPEP Q07075 2/20 0.50
TP53 P04637 1/20 0.50
SRD5A2 P31213 2/20 0.44
CPN1 P15169 1/20 0.43
CPB2 Q96IY4 1/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 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
SCHEMBL996787 0.77 ANPEP (0.70) ANPEPENPEPCA1CA2CA12
SCHEMBL1939907 0.74 TSHR (0.55) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL900831 0.72 TSHR (0.67) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL1596408 0.72 TSHR (0.67) ANPEPTSHRTP53SRD5A2CA1
Terephthalic Acid SCHEMBL175823 0.71 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL1655 0.71 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL5053781 0.71 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
Terephthalic Acid SCHEMBL2511919 0.71 TSHR (1.00) TSHRTP53SRD5A2CA1CA2
SCHEMBL4640554 0.70 TSHR (0.63) ANPEPTSHRTP53SRD5A2CA1
SCHEMBL4640939 0.70 SRD5A2 (0.68) ANPEPTSHRTP53SRD5A2CA1

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