SCHEMBL6466129

SCHEMBL6466129

CCCCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(CCCC)cc2C)c2cc(C)ccc2C)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
SKP2 Q13309 1/20 0.37
HPGD P15428 3/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
PLK1 P53350 9/20 0.36
PLK3 Q9H4B4 2/20 0.36
NFKB1 P19838 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL58579 0.84 GAA (0.39) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL29372058 0.84 GAA (0.39) NPC1RAB9ASMN1; SMN2HPGDMAPK1
SCHEMBL6466101 0.78 TRPV1 (0.42) NPC1RAB9ASMN1; SMN2SKP2HPGD
SCHEMBL6469382 0.77 S1PR4 (0.43) SMN1; SMN2MEN1KMT2AKDM4EMAPT
SCHEMBL28222496 0.76 GPR84 (0.40) SMN1; SMN2HPGDMAPK1HTTNPSR1
SCHEMBL28410014 0.75 ENPP2 (0.41) PLK1PLK3GPR84
SCHEMBL6469841 0.74 HPGD (0.39) NPC1RAB9ASMN1; SMN2SKP2HPGD
SCHEMBL2973228 0.72 KMT2A (0.37) SMN1; SMN2HPGDHTTNPSR1MEN1
SCHEMBL22871152 0.72 ENPP2 (0.42) SMN1; SMN2SKP2HPGDMEN1LMNA
SCHEMBL29365063 0.71 GAA (0.40) RAB9ASMN1; SMN2LMNAKMT2APOLB

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-20050096406-A1 Reactive diluents and alkyd resin coating compositions PRETOT ROGER (CH) 2005-05-05 US disclosed
US-5534559-A UNSATURATED POLYESTERS CIBA-GEIGY CORPORATION (US) 1996-07-09 US disclosed