SCHEMBL13977065

SCHEMBL13977065

Cc1ccc2cc(-c3c4ccccc4c(-c4ccc5cc(O)ccc5c4)c4ccccc34)ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 12/20 0.53
▸ ESR1 P03372 11/20 0.53
▸ CYP1A2 P05177 3/20 0.49
▸ HSD17B1 P14061 2/20 0.49
▸ HSD17B2 P37059 2/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2B6 P20813 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ CYP2A6 P11509 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ABL1 P00519 2/20 0.46
▸ ABCB1 P08183 2/20 0.46
▸ BCR P11274 2/20 0.46

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
SCHEMBL25513797 0.86 CYP2A6 (0.59) ESR2ESR1CYP1A2CYP3A4CYP2C9
SCHEMBL14506091 0.86 CYP1A2 (0.65) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL13015669 0.84 ESR2 (0.69) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL15835645 0.84 ESR1 (0.68) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL27845544 0.81 ALOX5 (0.62) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL10030010 0.80 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19CYP2A6
SCHEMBL14506092 0.80 ESR2 (0.59) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL30924175 0.80 CYP1A2 (0.68) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL12298 0.80 CYP1A2 (0.68) ESR2ESR1CYP1A2HSD17B1HSD17B2
SCHEMBL365629 0.79 CYP2A6 (0.55) ESR2ESR1CYP1A2CYP3A4CYP2C9

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-20120295381-A1 METHOD OF MANUFACTURING ORGANIC EL DISPLAY UNIT SONY CORPORATION (JP) 2012-11-22 — — US disclosed
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