SCHEMBL16404086

SCHEMBL16404086

COc1ccc(OC)c(C2CCCN2C(=O)c2cc(-c3csc(C)n3)cn2C)c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 3/20 0.42
▸ HCRTR1 O43613 8/20 0.41
▸ HCRTR2 O43614 7/20 0.41
▸ HSD17B10 Q99714 1/20 0.40
▸ GRM5 P41594 1/20 0.39
▸ SCD5 Q86SK9 3/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL16403958 0.93 HCRTR1 (0.48) SCDHCRTR1HCRTR2GRM5SCD5
SCHEMBL16403934 0.92 TRPV1 (0.40) HCRTR1HCRTR2GRM5SCD5HSP90AA1
SCHEMBL16403957 0.88 HSD17B10 (0.52) SCDHCRTR1HCRTR2HSD17B10SCD5
SCHEMBL16404125 0.86 SCD (0.47) SCDSMN1; SMN2TRPV1
SCHEMBL16403960 0.86 SCD (0.42) SCDHCRTR1HCRTR2HSD17B10SCD5
SCHEMBL16403937 0.76 NPC1 (0.47) SCDHCRTR1HCRTR2HSD17B10SCD5
SCHEMBL16403930 0.75 NPC1 (0.49) SCDHSD17B10SCD5SMN1; SMN2
SCHEMBL16403918 0.71 NPC1 (0.47) LMNAHPGDSMN1; SMN2
SCHEMBL16403992 0.71 RAB9A (0.60) LMNAHPGDSMN1; SMN2
SCHEMBL16403916 0.70 ALDH1A1 (0.48) HSD17B10LMNAHPGDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 — — US disclosed
Send feedback