SCHEMBL19011568

SCHEMBL19011568

ClCC/C(=C(\c1ccccc1)c1ccc(OCCOc2ccccc2)cc1)c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.75
▸ LMNA P02545 1/20 0.75
▸ ESR1 P03372 9/20 0.73
▸ ESR2 Q92731 4/20 0.73
▸ CYP19A1 P11511 4/20 0.73
▸ ESRRG P62508 6/20 0.68
▸ CYP3A4 P08684 2/20 0.55
▸ MAPT P10636 2/20 0.52
▸ PSMB1 P20618 2/20 0.52
▸ PSMB5 P28074 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ NR1I2 O75469 1/20 0.52
▸ PRKD3 O94806 1/20 0.52
▸ ABCB11 O95342 1/20 0.52
▸ EGFR P00533 1/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ NR3C1 P04150 1/20 0.52
▸ ERBB2 P04626 1/20 0.52
▸ TP53 P04637 1/20 0.52

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
SCHEMBL17915615 0.94 HTR6 (0.75) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL17246776 0.91 HTR6 (0.72) HTR6LMNAESR1ESR2CYP19A1
Ospemifene SCHEMBL2231997 0.91 LMNA (0.71) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL5737939 0.91 LMNA (0.71) HTR6LMNAESR1ESR2CYP19A1
Ospemifene SCHEMBL948118 0.91 LMNA (0.71) HTR6LMNAESR1ESR2CYP19A1
Ospemifene SCHEMBL948120 0.91 LMNA (0.71) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL9098766 0.90 ESR1 (0.90) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL5738182 0.90 LMNA (0.70) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL9098770 0.90 ESR1 (0.90) HTR6LMNAESR1ESR2CYP19A1
SCHEMBL906293 0.90 ESR1 (0.90) HTR6LMNAESR1ESR2CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3181545-B1 PROCESS FOR THE PREPARATION OF OSPEMIFENE SHIONOGI & CO (JP) 2023-11-01 — — EP disclosed
EP-3835285-A1 METHOD FOR PRODUCING PHENOXYETHANOL DERIVATIVE Shionogi & Co., Ltd (JP) 2021-06-16 — — EP disclosed
EP-3415491-B1 METHOD FOR PRODUCING PHENOXYETHANOL DERIVATIVE SHIONOGI & CO (JP) 2020-11-18 — — EP disclosed
EP-3181545-A1 METHOD FOR PRODUCING TRIPHENYLBUTENE DERIVATIVE Shionogi & Co., Ltd. (JP) 2017-06-21 — — EP disclosed
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