SCHEMBL8843136

SCHEMBL8843136

COc1ccc(CCCC=CCCCCCCCCCC(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.60
CNR2 P34972 2/20 0.52
ALOX5 P09917 1/20 0.51
KDM4E B2RXH2 2/20 0.49
SOAT1 P35610 2/20 0.49
F2RL1 P55085 1/20 0.49
MEN1 O00255 1/20 0.49
FAAH O00519 1/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
CALM1 P0DP23 1/20 0.47

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
SCHEMBL8843761 0.89 CNR1 (0.60) CNR1CNR2ALOX5
SCHEMBL13522667 0.88 ALOX5 (0.59) ALOX5F2RL1CALM1
SCHEMBL933946 0.88 ALOX5 (0.59) ALOX5F2RL1CALM1
SCHEMBL20019549 0.86 ALOX5 (0.61) ALOX5F2RL1CALM1
SCHEMBL659052 0.85 ALOX5 (0.68) ALOX5F2RL1KMT2ACALM1
SCHEMBL6756567 0.84 F2RL1 (0.53) CNR1ALOX5F2RL1
SCHEMBL6756570 0.84 F2RL1 (0.53) CNR1ALOX5F2RL1
SCHEMBL6761223 0.83 CNR1 (0.57) CNR1CNR2ALOX5F2RL1
SCHEMBL6761220 0.83 CNR1 (0.57) CNR1CNR2ALOX5F2RL1
SCHEMBL9943777 0.82 CNR1 (0.54) CNR1CNR2ALOX5F2RL1CALM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686465-A PROVIDE ANTIESTROGENIC EFFECTS; USEFUL IN TREATMENT OF BREAST CANCER ENDORECHERCHE INC. (CA) 1997-11-11 US disclosed
US-5585405-A ADMINISTERING ANDROGEN OR ESTROGEN INHIBITORS ENDORECHERCHE INC. (CA) 1996-12-17 US disclosed
US-5395842-A Inhibitors of sex steroids ENDORECHERCHE INC. (CA) 1995-03-07 US disclosed
US-5393785-A Therapeutic antiestrogens ENDORECHERCHE, INC. (CA) 1995-02-28 US disclosed
US-5364847-A Inhibitors of sex steroid biosynthesis and methods for their production and use ENDORECHERCHE (CA) 1994-11-15 US disclosed
EP-0615448-A1 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1994-09-21 EP disclosed
WO-1993010741-A2 SEX STEROID ACTIVITY INHIBITORS ENDORECHERCHE INC. (CA) 1993-06-10 WO disclosed