SCHEMBL6469476

SCHEMBL6469476

CCC(C)P(=O)(C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C)C(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.51
FABP4 P15090 2/20 0.51
FABP5 Q01469 1/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
GAA P10253 2/20 0.33
HSP90AA1 P07900 2/20 0.32
HSP90AB1 P08238 2/20 0.32
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RARG P13631 1/20 0.31
RXRA P19793 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
SCHEMBL6468614 0.75 FABP3 (0.53) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6469474 0.75 FABP3 (0.49) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6470066 0.74 FABP3 (0.47) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6467319 0.73 KMT2A (0.41) MEN1ALDH1A1LMNAMAPTHPGD
SCHEMBL6469292 0.73 FABP3 (0.55) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6466073 0.73 FABP3 (0.46) FABP3FABP4FABP5
SCHEMBL6469869 0.73 FABP3 (0.46) FABP3FABP4FABP5
SCHEMBL5994415 0.72 FABP3 (0.53) FABP3FABP4FABP5GABRA1GABRB2
SCHEMBL6467024 0.72 AKR1C3 (0.33) GAAMEN1ALDH1A1ALOX12KMT2A
SCHEMBL6467158 0.72 FABP3 (0.42) FABP3FABP4FABP5ALDH1A1LMNA

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