SCHEMBL10894282

SCHEMBL10894282

O=C(O)C1C=CC(O)=CC1(O)CCc1ccc(Cl)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.37
HPGD P15428 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CNR1 P21554 1/20 0.36
ACLY P53396 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
COPS5 Q92905 1/20 0.35
EPHX2 P34913 1/20 0.34
PLAAT3 P53816 1/20 0.34
PLAAT5 Q96KN8 1/20 0.34
PLAAT2 Q9NWW9 1/20 0.34
PLAAT4 Q9UL19 1/20 0.34
NR4A2 P43354 1/20 0.34
METAP2 P50579 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
SCHEMBL10726749 0.72
SCHEMBL9876093 0.69
SCHEMBL30567601 0.64 PDPK1 (0.59) PDPK1HPGDCNR1ACLYPLAAT3
SCHEMBL19183339 0.64
SCHEMBL586345 0.64 PDPK1 (0.59) PDPK1HPGDCNR1ACLYPLAAT3
SCHEMBL9083835 0.62 ACLY (0.51) PDPK1HPGDCNR1ACLYPLAAT3
SCHEMBL4778926 0.62 ACLY (0.58) PDPK1ACLYPLAAT3PLAAT5PLAAT2
SCHEMBL11621292 0.62 IDO1 (0.65) CNR1
SCHEMBL7330078 0.62 PDPK1 (0.56) PDPK1HPGDCNR1ACLYPLAAT3
Hydrochloric Acid SCHEMBL9083841 0.61 ACLY (0.57) PDPK1ACLYPLAAT3PLAAT5PLAAT2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4603339-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1986-07-29 US disclosed