SCHEMBL16982197

SCHEMBL16982197

Oc1ccc2cc(-c3c(F)c(F)c(O)c(F)c3F)ccc2c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 15/20 0.65
▸ ESR1 P03372 14/20 0.65
▸ ABL1 P00519 2/20 0.52
▸ ABCB1 P08183 2/20 0.52
▸ BCR P11274 2/20 0.52
▸ HSD17B1 P14061 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2B6 P20813 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HSD17B2 P37059 1/20 0.50

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
SCHEMBL4451076 0.79 SENP1 (0.50) ESR2ESR1ABL1ABCB1BCR
SCHEMBL3924515 0.78 ESR2 (1.00) ESR2ESR1ABL1ABCB1BCR
SCHEMBL16982199 0.77 ESR2 (0.64) ESR2ESR1ABL1ABCB1BCR
SCHEMBL30275026 0.76 ESR2 (0.90) ESR2ESR1ABL1ABCB1BCR
SCHEMBL5425451 0.76 ESR2 (0.90) ESR2ESR1ABL1ABCB1BCR
SCHEMBL23312096 0.74 ESR1 (0.45) ESR2ESR1ABL1ABCB1BCR
SCHEMBL3934682 0.74 ESR1 (1.00) ESR2ESR1ABL1ABCB1BCR
SCHEMBL1630267 0.74 ESR1 (0.79) ESR2ESR1ABL1ABCB1BCR
SCHEMBL4065166 0.74 ESR1 (0.75) ESR2ESR1ABL1ABCB1BCR
SCHEMBL25419910 0.73 SENP1 (0.48) ESR2ESR1ABL1ABCB1BCR

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-2015115589-A1 HALOGEN ATOM-SUBSTITUTED POLYMERIZABLE COMPOUND 日産化学工業株式会社 2015-08-06 — — WO disclosed
Send feedback