SCHEMBL6465353

SCHEMBL6465353

CCCCc1cc(CCCC)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CCCC)cc(CCCC)cc2CCCC)c(CCCC)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPR84 Q9NQS5 2/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PLK1 P53350 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PTGS2 P35354 3/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP3A4 P08684 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.32
RARB P10826 1/20 0.32
ENPP2 Q13822 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
GABRP O00591 1/20 0.31

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
SCHEMBL6469681 0.88 PTPN1 (0.37) RAB9AHPGDPLK1
SCHEMBL6469841 0.86 HPGD (0.39) NPC1RAB9ASMN1; SMN2GPR84HPGD
SCHEMBL6466926 0.84 NPC1 (0.33) NPC1RAB9ASMN1; SMN2GPR84HPGD
SCHEMBL6470171 0.80 AKR1C3 (0.33) NPC1RAB9ASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL6469388 0.76 GABRA1 (0.41) SMN1; SMN2HPGDHTTALDH1A1PTGS2
SCHEMBL6470341 0.75 PTPN1 (0.38) NPC1RAB9AGPR84HPGDMAPK1
SCHEMBL6876081 0.74 PTPN1 (0.31)
SCHEMBL6470429 0.72 GABRA1 (0.39) HPGDHTTALDH1A1HSD17B10MAPT
SCHEMBL275128 0.70 KMT2A (0.38) SMN1; SMN2HPGDMAPK1NPSR1ALDH1A1
SCHEMBL5994972 0.69 KMT2A (0.37) SMN1; SMN2HPGDHTTNPSR1ALDH1A1

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