SCHEMBL11857930

SCHEMBL11857930

O=C(O)Cc1ccc(C2=CCCCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.54
ABCC4 O15439 1/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
TSHR P16473 1/20 0.53
PTGS1 P23219 1/20 0.53
HTT P42858 1/20 0.53
CA2 P00918 1/20 0.47
CAMK2A Q9UQM7 1/20 0.47
RXRA P19793 5/20 0.46
RXRB P28702 5/20 0.46
RXRG P48443 5/20 0.46
AKR1B1 P15121 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
QPCT Q16769 1/20 0.42
FFAR1 O14842 1/20 0.41

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
SCHEMBL11861303 0.96 ABCC4 (0.53) ACMSDABCC4LMNAGAATSHR
SCHEMBL9811873 0.87 LMNA (0.59) ABCC4LMNAGAATSHRPTGS1
SCHEMBL11828541 0.80 ACMSD (0.46) ACMSDHDAC3HDAC1HDAC2FFAR1
SCHEMBL11826714 0.79 ACMSD (0.45) ACMSDHDAC3HDAC1HDAC2FFAR1
SCHEMBL10793933 0.78 ACMSD (0.53) ACMSDHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL6069021 0.78 ACMSD (0.61) ACMSDTSHRRXRARXRBRXRG
SCHEMBL25456721 0.78 FFAR4 (0.56) ACMSDHDAC3HDAC1HDAC2ALDH1A1
SCHEMBL11837209 0.78 ACMSD (0.47) ACMSDHDAC3HDAC1HDAC2FFAR1
SCHEMBL11856441 0.78 CYP4Z1 (0.45) ACMSDLMNATSHRHDAC1HDAC2
SCHEMBL11862219 0.77 ACMSD (0.47) ACMSDTSHRHDAC3HDAC1HDAC2

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
US-3944589-A α-Cycloalkenylphenyl-fatty acid nitriles CIBA-GEIGY CORPORATION (US) 1976-03-16 US disclosed