SCHEMBL16201504

SCHEMBL16201504

Cc1ccc(OCC(=O)N(C)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
MLYCD O95822 2/20 0.57
TRPM8 Q7Z2W7 3/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
MAPT P10636 5/20 0.49
HIF1A Q16665 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 3/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48

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
SCHEMBL25942822 0.91 MLYCD (0.59) NPC1RAB9AMLYCDTRPM8SMN1; SMN2
SCHEMBL5696786 0.82 MLYCD (0.69) NPC1RAB9AMLYCDSMN1; SMN2MEN1
SCHEMBL9877627 0.81 NPC1 (0.71) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL7513376 0.80 TRPM8 (0.58) NPC1RAB9ATRPM8SMN1; SMN2MAPT
SCHEMBL25942908 0.80 MLYCD (0.59) NPC1RAB9AMLYCDSMN1; SMN2MAPT
SCHEMBL3060224 0.79 MLYCD (0.50) NPC1RAB9AMLYCDCYP2C19MEN1
SCHEMBL1019065 0.78 MLYCD (0.65) NPC1RAB9AMLYCDSMN1; SMN2MEN1
SCHEMBL16197861 0.78 CYP2D6 (0.66) NPC1RAB9AMLYCDMAPTCYP1A2
SCHEMBL11803183 0.77 MAPT (0.78) NPC1RAB9ASMN1; SMN2MAPTCYP1A2
SCHEMBL9327118 0.76 MLYCD (0.55) NPC1RAB9AMLYCDSMN1; SMN2MEN1

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
WO-2014175832-A1 WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-30 WO disclosed