SCHEMBL7537433

SCHEMBL7537433

Cc1cc(O)c2c3c(c(=O)oc2c1)CC(C)CC3

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.49
ALDH1A1 P00352 12/20 0.49
HPGD P15428 8/20 0.49
HSD17B10 Q99714 8/20 0.49
KDM4E B2RXH2 7/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 3/20 0.49
CASP1 P29466 2/20 0.49
CASP7 P55210 2/20 0.49
GLA P06280 1/20 0.49
CCR4 P51679 1/20 0.43
RXFP1 Q9HBX9 4/20 0.42
MAPK1 P28482 4/20 0.42
HTT P42858 4/20 0.42
PPARG P37231 1/20 0.42
MAPK10 P53779 1/20 0.42
NCOA2 Q15596 1/20 0.42
TSHR P16473 5/20 0.41
NPSR1 Q6W5P4 4/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL14454479 0.83 ALDH1A1 (0.50) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL7531522 0.80 RXFP1 (0.60) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14472613 0.79 ALDH1A1 (0.46) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5553087 0.79 ALDH1A1 (0.46) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL14472697 0.76 ABCB1 (0.46) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL6965403 0.75 ALDH1A1 (0.43) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL11603069 0.74 ALDH1A1 (0.61) ALDH1A1HPGDHSD17B10KDM4EGAA
SCHEMBL5132942 0.73 ALDH1A1 (0.41) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL26767895 0.72 KDM4E (0.63) DRD4ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL5659065 0.72 ALDH1A1 (0.40) ALDH1A1HPGDHSD17B10KDM4EGAA

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