SCHEMBL8636932

SCHEMBL8636932

Oc1ccc(-c2oc3ccc(O)cc3c2CCCCCCN2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.51
ESR2 Q92731 8/20 0.51
HSD17B10 Q99714 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
KMT2A Q03164 1/20 0.42
XDH P47989 2/20 0.42
ACHE P22303 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
KCNH2 Q12809 2/20 0.41

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
SCHEMBL8637238 0.91 XDH (0.49) ESR1ESR2HSD17B10KDM4EMEN1
SCHEMBL8635685 0.79 MEN1 (0.49) HSD17B10KDM4EMEN1CYP3A4MAPT
SCHEMBL8638111 0.76 MEN1 (0.51) HSD17B10KDM4EMEN1CYP3A4MAPT
SCHEMBL8635613 0.73 MEN1 (0.54) HSD17B10KDM4EMEN1CYP3A4MAPT
SCHEMBL8641220 0.73 ESR1 (0.62) ESR1ESR2HSD17B10MEN1CYP3A4
SCHEMBL8654623 0.72 ESR1 (0.44) ESR1ESR2XDHKCNH2
SCHEMBL8655703 0.71 ESR1 (0.43) ESR1ESR2XDHKCNH2
SCHEMBL8636723 0.70 MEN1 (0.56) ESR1ESR2HSD17B10KDM4EMEN1
SCHEMBL11551109 0.70 SIGMAR1 (0.56) ACHEHRH3
SCHEMBL8641732 0.69 PTPN1 (0.51) ESR1ESR2HSD17B10KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP claimed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 US claimed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO claimed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP claimed
EP-0516257-B1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AG (DE) 1998-08-05 EP disclosed
US-5470854-A Antiestrogens SCHERING AKTIENGESELLSCHAFT (DE) 1995-11-28 US disclosed
WO-1992021669-A1 2-PHENYLBENZO[B]FURANS AND THIOPHENES, METHODS OF PREPARING THEM AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-10 WO disclosed
EP-0516257-A1 Phenylbenzo[b]furans and -thiophenes, procedures for their preparation, and pharmaceutical compositions containing the same SCHERING AKTIENGESELLSCHAFT (DE) 1992-12-02 EP disclosed