SCHEMBL6467280

SCHEMBL6467280

CCc1cccc(CC)c1C(=O)P(=O)(C(=O)c1c(CC)cccc1CC)C(C)CC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB2 P47870 3/20 0.39
ALDH1A1 P00352 5/20 0.33
ANPEP P15144 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 2/20 0.31
POLB P06746 1/20 0.31
CLCN2 P51788 1/20 0.31
RAB9A P51151 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31
GAA P10253 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL5996722 0.92 ITGB1 (0.36) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL5996474 0.89 ALDH1A1 (0.43) ALDH1A1KDM4EHTTTAS1R3TAS1R1
SCHEMBL5995231 0.89 KMT2A (0.37) GABRA1GABRB2ALDH1A1KMT2AKDM4E
SCHEMBL5996841 0.85 MEN1 (0.33) GABRA1GABRB2KMT2AMEN1HTT
SCHEMBL6467024 0.85 AKR1C3 (0.33) ALDH1A1KMT2AMEN1POLBRAB9A
SCHEMBL5997928 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1HTTGAA
SCHEMBL6466911 0.83 L3MBTL1 (0.38) ALDH1A1KMT2AKDM4EMEN1HTT
SCHEMBL443439 0.79 CA12 (0.47) ALDH1A1KDM4ETAS1R3TAS1R1TAS1R2
SCHEMBL446841 0.78 L3MBTL1 (0.43) KMT2AKDM4EGAA
SCHEMBL5995811 0.76 KMT2A (0.39) ALDH1A1KMT2AMEN1HTTTAS1R3

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