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
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