SCHEMBL8486237

SCHEMBL8486237

O=C(Oc1ccc([N+](=O)[O-])cc1)OC1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP2C19 P33261 2/20 0.50
MGLL Q99685 3/20 0.49
FAAH O00519 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR2A P28223 1/20 0.47
BCHE P06276 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL22589573 0.87 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL7819807 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL9236140 0.85 BCHE (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL8484189 0.84 FAAH (0.62) NPC1RAB9AMGLLFAAHCYP1A2
SCHEMBL21227845 0.83 SIGMAR1 (0.53) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL30415448 0.82 MAPT (0.57) SMN1; SMN2NPC1RAB9ACYP2C19BCHE
SCHEMBL2830265 0.82 CYP1A2 (0.52) CYP2C19MGLLCYP1A2CYP2D6POLB
SCHEMBL3554740 0.81 SIGMAR1 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19FAAH
SCHEMBL13241619 0.81 HTR2A (0.46) SMN1; SMN2NPC1RAB9ACYP2C19MGLL
SCHEMBL15747761 0.81 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5952354-A ENZYME INHIBITORS OF CHLOESTEROL ESTER HYDROLASE AND/OR ACYL COENZYME A:CHLOESTEROL ACYLTRANSFERASE; INHIBIT THE ESTERIFICATION OF CHLOESTEROL AND REDUCE ABSORPTION THROUGH THE INTESTINE; CARBAMATES OF 4-8 MEMBERED AZACYCLOALKANOLS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-09-14 US disclosed
EP-0635501-A1 Tris carbamic acid esters: inhibitors of cholesterol absorption; inhibitors of ACAT and CEH AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-25 EP disclosed