SCHEMBL6470322

SCHEMBL6470322

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 2/20 0.35
TRPA1 O75762 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
TYK2 P29597 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
F2R P25116 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
GPR52 Q9Y2T5 1/20 0.33
BRPF1 P55201 1/20 0.33
HTT P42858 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
POLB P06746 1/20 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
SCHEMBL5146637 0.80 KDM4E (0.41) HPGDL3MBTL1ALDH1A1KDM4EHTT
SCHEMBL7571436 0.79 L3MBTL1 (0.41) HPGDL3MBTL1TDP1ATMTRPA1
SCHEMBL6467862 0.77 GABRA1 (0.47) GABRA1GABRB2ALDH1A1KDM4EHTT
SCHEMBL18860360 0.77 HPGD (0.42) HPGDL3MBTL1TDP1ATMTRPA1
SCHEMBL6468664 0.77 HPGD (0.42) HPGDL3MBTL1TDP1ATMTRPA1
SCHEMBL7182268 0.77 TSHR (0.42) HPGDL3MBTL1TDP1ALDH1A1KDM4E
SCHEMBL443411 0.76 CA12 (0.53) ATMTSHRTP53SMN1; SMN2
SCHEMBL8667559 0.72 L3MBTL1 (0.40) HPGDL3MBTL1TDP1ATMTRPA1
SCHEMBL6467134 0.72 L3MBTL1 (0.38) HPGDL3MBTL1TDP1ATMTYK2
SCHEMBL152303 0.72 F2R (0.41) HPGDL3MBTL1TDP1TYK2ALDH1A1

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