SCHEMBL9850682

SCHEMBL9850682

CCCCCCOc1ccc2ccc(Br)cc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.49
MAPT P10636 1/20 0.48
THRA P10827 2/20 0.48
TSHR P16473 2/20 0.47
HDAC1 Q13547 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
THRB P10828 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL4749149 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL7210942 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL4748293 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL9699146 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL31498425 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL4748690 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL4745433 0.97 NR5A1 (0.51) NR5A1MAPTTHRATSHRCA12
SCHEMBL3731301 0.95 NR5A1 (0.49) NR5A1MAPTTHRATSHRCA12
SCHEMBL1608519 0.92 CA12 (0.50) MAPTCA12CA1CA2CA3
SCHEMBL30334792 0.92 CA12 (0.50) MAPTCA12CA1CA2CA3

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
EP-0409634-A2 Liquid crystal compounds and optically active compounds SANYO CHEMICAL INDUSTRIES LTD. (JP) 1991-01-23 EP disclosed