SCHEMBL7748990

SCHEMBL7748990

CCC(C)(c1cccc(O)c1)c1ccc(O)c(C)c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.56
ESR2 Q92731 6/20 0.56
AR P10275 3/20 0.56
HSD17B1 P14061 4/20 0.47
HSD17B2 P37059 4/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
VDR P11473 1/20 0.41

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
SCHEMBL29499858 0.88 ESR1 (0.70) ESR1ESR2ARVDR
SCHEMBL11783483 0.88 ALDH1A1 (0.44) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL30596871 0.88 ESR1 (0.70) ESR1ESR2ARVDR
SCHEMBL312794 0.88 ESR1 (0.70) ESR1ESR2ARVDR
SCHEMBL7744370 0.85 ESR1 (0.47) ESR1ESR2ARHSD17B1HSD17B2
SCHEMBL10909749 0.85 ESR1 (0.69) ESR1ESR2ARVDR
SCHEMBL6516890 0.85 ESR1 (0.52) ESR1ESR2ARHSD17B1HSD17B2
SCHEMBL14760222 0.85 ESR1 (0.69) ESR1ESR2ARVDR
SCHEMBL7744344 0.84 ESR1 (0.58) ESR1ESR2ARHSD17B1HSD17B2
SCHEMBL17785991 0.83 ESR1 (0.74) ESR1ESR2ARVDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001032744-A1 POLYCARBONATES SUITABLE FOR USE IN OPTICAL ARTICLES GENERAL ELECTRIC COMPANY (US) 2001-05-10 WO disclosed
US-6177537-B1 COPOLYMERS OF BISPHENOLS AND SPIRODIINDANEDIOLS GENERAL ELECTRIC COMPANY 2001-01-23 US disclosed