SCHEMBL8625511

SCHEMBL8625511

COc1ccc2c(c1)CCC(c1ccccc1)=C2c1ccc(OC(C)N2CCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.64
SIGMAR1 Q99720 1/20 0.64
ESR1 P03372 14/20 0.59
MIF P14174 1/20 0.40
ESR2 Q92731 5/20 0.40
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL11821605 0.83 ESR1 (0.72) EBPSIGMAR1ESR1MIFNPC1
SCHEMBL27320646 0.80 EBP (0.58) EBPSIGMAR1ESR1MIFALDH1A1
SCHEMBL7531873 0.80 EBP (0.44) EBPSIGMAR1ESR1NPC1ALDH1A1
SCHEMBL7530401 0.80 EBP (0.49) EBPSIGMAR1ESR1ESR2NPC1
SCHEMBL7524279 0.79 EBP (0.41) EBPSIGMAR1ESR1NPC1ALDH1A1
SCHEMBL2817611 0.79 ESR1 (0.86) EBPSIGMAR1ESR1MIFESR2
Nafoxidine SCHEMBL29494604 0.78 EBP (1.00) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL153125 0.78 EBP (1.00) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL10563464 0.78 EBP (1.00) EBPSIGMAR1ESR1ESR2
Nafoxidine SCHEMBL115778 0.78 EBP (0.98) EBPSIGMAR1ESR1ESR2

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
US-5719136-A Combination of progesterone antagonists and antiestrogens with partial agonistic action for hormone substitution therapy for perimenopausal and postmenopausal women SCHERING AKTIENGESELLSCHAFT (DE) 1998-02-17 US claimed