SCHEMBL9580351

SCHEMBL9580351

Oc1ccc(C2[C]c3ccc(O)cc3CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 14/20 0.46
ESR1 P03372 11/20 0.46
DRD2 P14416 2/20 0.40
DRD3 P35462 2/20 0.40
OPRK1 P41145 1/20 0.40
DRD4 P21917 1/20 0.37
CYP26A1 O43174 1/20 0.36
CYP19A1 P11511 1/20 0.36

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
SCHEMBL10596489 0.90 ESR1 (0.40) ESR2ESR1DRD2DRD3OPRK1
SCHEMBL4289135 0.73 DRD2 (0.37) ESR2ESR1DRD2
SCHEMBL9862516 0.70 ESR2 (0.36) ESR2ESR1DRD2DRD3OPRK1
SCHEMBL4282799 0.67 HSD11B1 (0.36)
SCHEMBL1344597 0.66 OPRK1 (0.59) ESR2ESR1DRD2DRD3OPRK1
SCHEMBL7472016 0.65 DRD2 (0.39) ESR2ESR1DRD2DRD3OPRK1
SCHEMBL4283465 0.64 MEN1 (0.45)
SCHEMBL15913830 0.63 ESR2 (1.00) ESR2ESR1CYP19A1
SCHEMBL11213350 0.63 ESR2 (0.54) ESR2ESR1DRD2CYP19A1
SCHEMBL9862638 0.62 ESR1 (0.49) ESR2ESR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183814-A Administering estrogen and antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US claimed
EP-0166509-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-05-13 EP claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US claimed
US-4760061-A Antioestrogenic agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US claimed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP claimed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP claimed
EP-0160508-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-06 EP claimed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP claimed
US-5183814-A Administering estrogen and antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-02 US disclosed
US-5021414-A Antiestrogen IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-04 US disclosed
US-4904661-A ANTIESTROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-02-27 US disclosed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP disclosed
US-4833135-A Antioestrogenic phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-23 US disclosed
US-4760061-A Antioestrogenic agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-26 US disclosed
US-4732912-A ANTIESTROGENS, ANTITUMOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-03-22 US disclosed
EP-0124369-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-06-24 EP disclosed
EP-0166509-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-02 EP disclosed
EP-0160508-A2 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-11-06 EP disclosed
EP-0124369-A1 Phenol derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-11-07 EP disclosed