SCHEMBL7749004

SCHEMBL7749004

Cc1cc(C(C)(C)c2cccc(O)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 10/20 0.74
ESR2 Q92731 8/20 0.58
HSD17B1 P14061 6/20 0.53
HSD17B2 P37059 6/20 0.53
CYP3A4 P08684 4/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
AR P10275 3/20 0.48
ALDH1A1 P00352 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
KLF10 Q13118 1/20 0.46
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR6 P50406 1/20 0.43
ESRRG P62508 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL697802 0.90 ESR1 (0.83) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL29696059 0.90 ESR1 (0.83) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL13059074 0.87 ESR1 (0.79) ESR1ESR2HSD17B1HSD17B2CYP3A4
Phenol SCHEMBL1537485 0.87 ESR1 (0.77) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL10335292 0.87 ESR1 (0.60) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL10492973 0.86 ESR1 (0.76) ESR1ESR2HSD17B1HSD17B2CYP3A4
SCHEMBL29350788 0.86 ESR1 (1.00) ESR1ESR2CYP3A4ARALDH1A1
SCHEMBL29360146 0.86 ESR1 (1.00) ESR1ESR2CYP3A4ARALDH1A1
SCHEMBL35285 0.86 ESR1 (1.00) ESR1ESR2CYP3A4ARALDH1A1
SCHEMBL1492513 0.86 ESR1 (0.68) ESR1ESR2HSD17B1HSD17B2CYP3A4

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