SCHEMBL27659334

SCHEMBL27659334

CC(O)c1cc(-c2ccc(O)c(F)c2)nc2ccc(-c3ccccc3O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 11/20 0.55
▸ ESR1 P03372 10/20 0.55
▸ ALOX5AP P20292 2/20 0.44
▸ FEN1 P39748 2/20 0.44
▸ QPCT Q16769 1/20 0.38
▸ QPCTL Q9NXS2 1/20 0.38
▸ HSD17B1 P14061 1/20 0.38
▸ HSD17B2 P37059 1/20 0.38
▸ TOP1 P11387 1/20 0.35
▸ PIK3R1 P27986 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPK10 P53779 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL27638489 0.86 ESR2 (0.44) ESR2ESR1QPCTQPCTLMEN1
SCHEMBL3930531 0.85 ESR1 (0.66) ESR2ESR1
SCHEMBL27659450 0.83 ESR1 (0.77) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27659448 0.82 ESR1 (0.72) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27659335 0.81 ESR1 (0.70) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27638485 0.81 ESR2 (0.71) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27638498 0.81 ESR2 (0.71) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27638496 0.81 ESR1 (0.73) ESR2ESR1ALOX5APFEN1QPCT
SCHEMBL27638499 0.80 ESR1 (0.73) ESR2ESR1ALOX5APFEN1MEN1
SCHEMBL28760330 0.80 ESR1 (0.57) ESR2ESR1ALOX5APFEN1QPCT

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
CN-1823046-A Phenyl quinolines and their use as estrogen receptor modulators WYETH CORP (US) 2006-08-23 — — CN claimed
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