SCHEMBL1707501

SCHEMBL1707501

CCC(C)CNC(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.63
ALDH1A1 P00352 4/20 0.63
NAMPT P43490 2/20 0.56
HPGD P15428 4/20 0.53
LMNA P02545 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49
HSD17B10 Q99714 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 1/20 0.47
NPSR1 Q6W5P4 2/20 0.47
NAAA Q02083 1/20 0.46
HTT P42858 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
SCHEMBL19349021 0.94 NAMPT (0.58) RAB9AALDH1A1NAMPTHPGDLMNA
SCHEMBL799425 0.94 NAMPT (0.58) RAB9AALDH1A1NAMPTHPGDLMNA
SCHEMBL17865782 0.88 NAMPT (0.58) RAB9AALDH1A1NAMPTHPGDSMN1; SMN2
SCHEMBL11652211 0.85 KMT2A (0.67) RAB9AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL11349126 0.83 RAB9A (0.56) RAB9AALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL26699525 0.82 NAMPT (0.53) RAB9AALDH1A1NAMPTHPGDLMNA
SCHEMBL5940560 0.81 KDM4E (0.53) RAB9AALDH1A1NAMPTHPGDLMNA
SCHEMBL8910055 0.81 RAB9A (0.54) RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL23911908 0.81 RAB9A (0.54) RAB9AALDH1A1NAMPTHPGDLMNA
SCHEMBL10912509 0.80 NPC1 (0.57) RAB9AALDH1A1HPGDLMNASMN1; SMN2

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-20120089222-A1 Photo-Activated Attachment Of Cholesterol To Polyurethane Surfaces For Adhesion Of Endothelial Cells THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2012-04-12 US disclosed
US-20120089222-A1 Photo-Activated Attachment Of Cholesterol To Polyurethane Surfaces For Adhesion Of Endothelial Cells THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2012-04-12 US disclosed