SCHEMBL6469681

SCHEMBL6469681

CCCc1cc(CCC)c(C(=O)P(=O)(CC(C)C)C(=O)c2c(CCC)cc(CCC)cc2CCC)c(CCC)c1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.37
PTPN11 Q06124 3/20 0.37
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
CA12 O43570 1/20 0.32
PLK1 P53350 1/20 0.32
HPGD P15428 1/20 0.31
RAB9A P51151 1/20 0.31
PRKCI P41743 1/20 0.30
PTPN2 P17706 1/20 0.30
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30

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 0.88 NPC1 (0.37) PLK1HPGDRAB9A
SCHEMBL6876081 0.84 PTPN1 (0.31) PTPN1PTPN11
SCHEMBL6470171 0.83 AKR1C3 (0.33) RAB9A
SCHEMBL6470341 0.80 PTPN1 (0.38) PTPN1PTPN11CA12PLK1HPGD
SCHEMBL6469388 0.78 GABRA1 (0.41) HPGD
SCHEMBL6469841 0.77 HPGD (0.39) PLK1HPGDRAB9AHIF1A
SCHEMBL6470429 0.74 GABRA1 (0.39) HPGD
SCHEMBL6466926 0.73 NPC1 (0.33) PLK1HPGDRAB9A
SCHEMBL275128 0.72 KMT2A (0.38) TAS1R3TAS1R1HPGD
SCHEMBL20377416 0.72 PTPN1 (0.39) PTPN1PTPN11PLK1

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