SCHEMBL7537508

SCHEMBL7537508

Cc1cc2oc(=O)c3c(c2c(O)c1Cl)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.49
HPGD P15428 11/20 0.49
HSD17B10 Q99714 10/20 0.49
KDM4E B2RXH2 10/20 0.49
TSHR P16473 8/20 0.49
CASP1 P29466 3/20 0.49
GLA P06280 3/20 0.49
GAA P10253 3/20 0.49
CASP7 P55210 2/20 0.49
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 3/20 0.48
MAOA P21397 1/20 0.46
MAPT P10636 4/20 0.45
MAPK1 P28482 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 4/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL7534533 0.79 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL7531522 0.76 RXFP1 (0.60) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL6585928 0.72 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL6479574 0.70 ALDH1A1 (0.45) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL14514720 0.69 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL13016751 0.69 MAOA (0.58) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL10790717 0.67 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL30465071 0.67 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL4710620 0.67 ALDH1A1 (0.65) ALDH1A1HPGDHSD17B10KDM4ETSHR
SCHEMBL8229647 0.67 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10KDM4ETSHR

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-2002028183-A1 FUNGICIDES SYNGENTA LIMITED (GB) 2002-04-11 WO disclosed