SCHEMBL6469841

SCHEMBL6469841

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 2/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.37
GPR84 Q9NQS5 2/20 0.36
SKP2 Q13309 1/20 0.36
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 4/20 0.35
PLK1 P53350 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TSHR P16473 3/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 1/20 0.34
CYP3A4 P08684 3/20 0.33
CYP1A2 P05177 3/20 0.33
MEN1 O00255 2/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL6465353 0.86 NPC1 (0.37) HPGDNPC1RAB9AHTTMAPK1
SCHEMBL275128 0.83 KMT2A (0.38) HPGDMAPK1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL14570826 0.78 HPGD (0.35) HPGDMAPK1NPSR1SMN1; SMN2ALDH1A1
SCHEMBL6469681 0.77 PTPN1 (0.37) HPGDRAB9APLK1HIF1A
SCHEMBL5995419 0.77 KMT2A (0.37) HPGDNPC1RAB9ANPSR1SMN1; SMN2
SCHEMBL5994287 0.76 HMGCR (0.35) HPGDRAB9AALDH1A1TSHRCYP1A2
SCHEMBL5997007 0.75 KDM4E (0.36) HPGDRAB9ANPSR1SMN1; SMN2ALDH1A1
SCHEMBL5996351 0.75 TRPM8 (0.38) HPGDNPSR1SMN1; SMN2FFAR1ALDH1A1
SCHEMBL5994972 0.75 KMT2A (0.37) HPGDHTTNPSR1SMN1; SMN2ALDH1A1
SCHEMBL5994453 0.74 TRPM8 (0.44) HPGDNPSR1SMN1; SMN2ALDH1A1MEN1

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