SCHEMBL9130714

SCHEMBL9130714

O=C(O)c1ccc(SSc2ccc(C(=O)O)cc2)cc1.[Cu]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
TP53 P04637 1/20 0.63
SRD5A2 P31213 3/20 0.55
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
TYR P14679 1/20 0.52
DRD1 P21728 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C9 P11712 2/20 0.52
HPGD P15428 2/20 0.52
HSD17B10 Q99714 2/20 0.52

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
SCHEMBL68336 0.97 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL9134460 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9132210 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9134567 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9134279 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9133947 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9132448 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9136978 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9134050 0.95 TSHR (0.63) TSHRTP53SRD5A2CA1CA2
SCHEMBL9786354 0.90 HPGD (0.59) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378571-A Toners for electrography HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed