SCHEMBL13680784

SCHEMBL13680784

COc1ccc(-c2cccc(CCC=O)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
ABCB1 P08183 1/20 0.50
BCR P11274 1/20 0.50
HDAC4 P56524 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
CASR P41180 1/20 0.47
MAOB P27338 3/20 0.47
PDE10A Q9Y233 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
FFAR1 O14842 1/20 0.44
PPARD Q03181 1/20 0.44
CHRM2 P08172 1/20 0.43

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
SCHEMBL24197395 0.84 MAOB (0.59) MAOBTSHRALDH1A1SMN1; SMN2GPR52
SCHEMBL2302446 0.84 FFAR4 (0.46) FFAR1KDM4EALDH1A1SMN1; SMN2GPR52
SCHEMBL13680791 0.83 GAA (0.55) HPGDLMNAFFAR1SMN1; SMN2GPR52
SCHEMBL13680790 0.83 FFAR1 (0.45) FFAR1ANO1GPR52
SCHEMBL13680783 0.82 FFAR1 (0.45) FFAR1GPR52
SCHEMBL417948 0.82 TAAR1 (0.61) CHRM2CHRM1CHRM3GPR52
SCHEMBL418611 0.82 GPR52 (0.50) FFAR1BACE1GPR52
SCHEMBL13680786 0.81 CHRM2 (0.46) ABL1CHRM2CHRM1CHRM3
SCHEMBL8367734 0.81 DRD1 (0.52)
SCHEMBL16631060 0.81 FFAR1 (0.56) MAOBFFAR1PPARD

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-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed