SCHEMBL7754514

SCHEMBL7754514

Cc1cc(C(=O)O)cc(Cl)c1S

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.52
TSHR P16473 2/20 0.45
TPMT P51580 3/20 0.45
SRD5A2 P31213 1/20 0.40
PLAU P00749 1/20 0.40
HCAR1 Q9BXC0 2/20 0.39
DAO P14920 1/20 0.37
MYC P01106 1/20 0.37
ESR1 P03372 1/20 0.37
ALOX15 P16050 1/20 0.37
PTPN7 P35236 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
NOTUM Q6P988 1/20 0.36
NR4A1 P22736 1/20 0.36

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
SCHEMBL7758456 0.85 TTR (0.62) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL31395250 0.85 TPMT (0.54) TTRTSHRTPMTHCAR1DAO
SCHEMBL10300670 0.79 TTR (0.56) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL983707 0.78 TTR (0.72) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL4507939 0.76 TPMT (0.54) TTRTSHRTPMTHCAR1DAO
SCHEMBL1573147 0.76 TTR (0.62) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL31701026 0.76 TTR (0.52) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL867170 0.76 TTR (0.52) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL16994423 0.76 TTR (0.52) TTRTSHRTPMTSRD5A2PLAU
SCHEMBL23699484 0.76 TPMT (0.45) TTRTSHRTPMTHCAR1DAO

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
WO-2001056982-A1 VITAMIN D-DERIVATIVES AND THEIR USE IN TREATING OSTEOPOROSIS AND RELATED BONE DISORDERS LEO PHARMA A/S (DK) 2001-08-09 WO disclosed