SCHEMBL11316612

SCHEMBL11316612

CCCC(=C1C=CC=C1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL11316557 0.86 ALDH1A1 (0.44) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL11327194 0.84 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11322005 0.83 HTR7 (0.44) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL9303552 0.82 CES2 (0.46) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL401165 0.72 CES2 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDCES2
SCHEMBL11330833 0.72 BCL2L1 (0.35) HDAC3HDAC1HDAC2HDAC4HDAC7
SCHEMBL11775179 0.71 POLB (0.42) HDAC3HDAC1HDAC2ALDH1A1KDM4E
SCHEMBL11330185 0.70 GAA (0.49) HDAC3HDAC1HDAC2GAAHPGD
SCHEMBL16411470 0.70 L3MBTL1 (0.56) ALDH1A1KDM4EPOLBHPGDCES2
SCHEMBL10415925 0.69 MAOA (0.52) HDAC3HDAC1HDAC2ALDH1A1KDM4E

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-4264336-A FOR IMPROVING THE OCTANE QUALITY OF UNLEADED GASOLINE PHILLIPS PETROLEUM COMPANY (US) 1981-04-28 US disclosed