SCHEMBL8804155

SCHEMBL8804155

COc1ccc(CCCC(=O)Cn2ccnc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.61
CYP19A1 P11511 2/20 0.60
CYP3A4 P08684 3/20 0.54
MAPT P10636 3/20 0.54
TDP1 Q9NUW8 3/20 0.54
ALDH1A1 P00352 2/20 0.54
TP53 P04637 2/20 0.54
CYP1A2 P05177 2/20 0.54
TSHR P16473 2/20 0.54
CYP2C9 P11712 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TRPM8 Q7Z2W7 1/20 0.54
TBXAS1 P24557 1/20 0.53
ORAI1 Q96D31 1/20 0.53
CYP2D6 P10635 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL8803260 0.92 CYP19A1 (0.63) PLA2G4ACYP19A1CYP3A4MAPTTDP1
Hydrochloric Acid SCHEMBL411003 0.91 CYP19A1 (0.62) PLA2G4ACYP19A1MAPTTDP1ALDH1A1
Bromide SCHEMBL11242765 0.91 CYP19A1 (0.62) PLA2G4ACYP19A1CYP3A4MAPTTDP1
SCHEMBL8802772 0.88 PLA2G4A (0.69) PLA2G4ACYP19A1ALDH1A1TBXAS1LMNA
SCHEMBL8803470 0.86 PLA2G4A (0.59) PLA2G4ATBXAS1
SCHEMBL8803506 0.86 TBXAS1 (0.56) PLA2G4ACYP19A1TBXAS1
SCHEMBL11241508 0.84 CYP19A1 (0.66) PLA2G4ACYP19A1MAPTALDH1A1TSHR
SCHEMBL8805267 0.83 CYP19A1 (0.63) PLA2G4ACYP19A1TBXAS1
SCHEMBL8803483 0.83 TBXAS1 (0.60) PLA2G4ACYP19A1TBXAS1
SCHEMBL8804388 0.83 TBXAS1 (0.59) TBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492474-B1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX INC (US) 1997-03-05 EP disclosed
US-5158949-A 1,3-DIOXOLANE DERIVATIVES AS CHOLESTEROL-LOWERING AGENTS SYNTEX (U.S.A.) INC. (US) 1992-10-27 US disclosed
EP-0492474-A1 1,3-Dioxolane derivatives as cholesterol-lowering agents SYNTEX (U.S.A.) INC. (US) 1992-07-01 EP disclosed
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed