SCHEMBL5313848

SCHEMBL5313848

CC(C)(C)c1cc(C(=O)NCCc2ccccc2)no1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.67
RAB9A P51151 6/20 0.67
SMN1; SMN2 Q16637 4/20 0.65
MAPK1 P28482 1/20 0.62
FAAH O00519 2/20 0.62
ALDH1A1 P00352 3/20 0.59
MAPT P10636 4/20 0.58
LMNA P02545 3/20 0.58
HPGD P15428 2/20 0.58
GAA P10253 1/20 0.58
THRB P10828 1/20 0.58
SCD O00767 1/20 0.56
SCD5 Q86SK9 1/20 0.56
HSD17B10 Q99714 1/20 0.56
ESRRG P62508 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL9315116 0.82 LMNA (0.76) NPC1RAB9ASMN1; SMN2MAPK1FAAH
SCHEMBL13234463 0.82 RAB9A (0.64) NPC1RAB9AMAPT
SCHEMBL16486106 0.78 FAAH (0.95) NPC1RAB9ASMN1; SMN2MAPK1FAAH
SCHEMBL17663699 0.77 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL18407361 0.76 RAB9A (0.68) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1
SCHEMBL23862470 0.75 LMNA (0.73) NPC1RAB9ASMN1; SMN2LMNAESRRG
SCHEMBL1474855 0.74 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPK1FAAH
SCHEMBL17652827 0.73 FAAH (0.84) NPC1RAB9ASMN1; SMN2FAAHALDH1A1
SCHEMBL4284349 0.73 RAB9A (0.78) NPC1RAB9ASMN1; SMN2FAAHALDH1A1
SCHEMBL17660276 0.73 RAB9A (0.59) NPC1RAB9ASMN1; SMN2MAPK1ALDH1A1

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
WO-2007067710-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO claimed
WO-2007067710-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS FOR MODULATING TRPV1 AMPHORA DISCOVERY CORPORATION (US) 2007-06-14 WO disclosed