SCHEMBL8901365

SCHEMBL8901365

Cc1ccccc1Cc1ccccc1C(=O)CC(=O)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
DRD4 P21917 1/20 0.38
FFAR1 O14842 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
SSTR4 P31391 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8754605 0.85 ERCC5 (0.57) HPGDALDH1A1ERCC5FEN1NPC1
SCHEMBL8726663 0.78 HPGD (0.38) HPGDALDH1A1KDM4EERCC5FEN1
SCHEMBL8754736 0.73 KDM4E (0.40) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8899347 0.73 CHRM4 (0.37)
SCHEMBL28205348 0.73 TSHR (0.61) HPGDALDH1A1KDM4EHTTKMT2A
SCHEMBL10470068 0.72 ALDH1A1 (0.47) HPGDALDH1A1KDM4EERCC5FEN1
SCHEMBL13639828 0.72 TAAR1 (0.44) HPGDALDH1A1KDM4EKMT2ASSTR4
SCHEMBL10469193 0.71 ALDH1A1 (0.46) HPGDALDH1A1KDM4EERCC5FEN1
SCHEMBL10469241 0.71 ALDH1A1 (0.46) HPGDALDH1A1KDM4EERCC5FEN1
SCHEMBL8890879 0.71 DPP4 (0.37) HPGDALDH1A1KDM4EHTTLMNA

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
WO-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed