SCHEMBL6468664

SCHEMBL6468664

Cc1cccc(C)c1C(=O)P(C)(=O)C(=O)c1c(C)cccc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TYK2 P29597 1/20 0.38
F2R P25116 1/20 0.37
BRPF1 P55201 1/20 0.35
HTT P42858 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
POLB P06746 1/20 0.35
CYP1A2 P05177 2/20 0.35
GPR52 Q9Y2T5 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
CYP2A6 P11509 1/20 0.35
TRPA1 O75762 2/20 0.34
ATM Q13315 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL18860360 0.86 HPGD (0.42) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL7571436 0.84 L3MBTL1 (0.41) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL7175016 0.78 ESR1 (0.41) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL69538 0.77 TAS1R3 (0.42) HPGDL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL8667559 0.77 L3MBTL1 (0.40) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL6470322 0.77 HPGD (0.38) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL6467134 0.77 L3MBTL1 (0.38) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL152303 0.77 F2R (0.41) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL69221 0.76 ALDH1A1 (0.52) HPGDALDH1A1KDM4ETYK2CYP3A4
SCHEMBL246249 0.75 L3MBTL1 (0.41) HPGDL3MBTL1TDP1ALDH1A1KDM4E

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