SCHEMBL9738265

SCHEMBL9738265

Brc1ccc(C=CCOC2CCCCO2)cc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4C Q9H3R0 1/20 0.36
CYP1A2 P05177 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MGLL Q99685 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GPR183 P32249 1/20 0.33
KCNH2 Q12809 1/20 0.32
DPP4 P27487 1/20 0.32
VCP P55072 1/20 0.32

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
SCHEMBL9738262 1.00 OPRM1 (0.39) OPRM1MEN1KMT2AKDM4CCYP1A2
SCHEMBL17844772 0.86 OPRM1 (0.52) OPRM1MEN1KMT2AKDM4CNPC1
SCHEMBL17844735 0.86 OPRM1 (0.52) OPRM1MEN1KMT2AKDM4CNPC1
SCHEMBL7180161 0.84 ALDH1A1 (0.40) OPRM1MEN1KMT2AKDM4CNPC1
SCHEMBL7180157 0.84 ALDH1A1 (0.40) OPRM1MEN1KMT2AKDM4CNPC1
SCHEMBL31419830 0.81 ALDH1A1 (0.50) OPRM1MEN1KMT2AKDM4CALDH1A1
SCHEMBL25239721 0.81 MEN1 (0.46) OPRM1MEN1KMT2ANPC1RAB9A
SCHEMBL18160519 0.81 MEN1 (0.38) OPRM1MEN1KMT2AKDM4CNPC1
SCHEMBL18143737 0.81 HPGD (0.47) NPC1RAB9A
SCHEMBL25239720 0.81 MEN1 (0.46) OPRM1MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5089635-A Antiprogesterone, antiglucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
EP-0190759-B1 11-BETA PHENYL GONANES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING AKTIENGESELLSCHAFT (DE) 1989-08-30 EP disclosed
EP-0190759-A2 11-Beta phenyl gonanes, their preparation and pharmaceutical compositions containing them SCHERING AKTIENGESELLSCHAFT (DE) 1986-08-13 EP disclosed