SCHEMBL11467950

SCHEMBL11467950

O=C(O)C=Cc1ccc(C(Cl)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.62
HDAC3 O15379 2/20 0.62
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC7 Q8WUI4 2/20 0.62
HDAC2 Q92769 2/20 0.62
HDAC10 Q969S8 2/20 0.62
HDAC11 Q96DB2 2/20 0.62
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC9 Q9UKV0 2/20 0.62
HDAC5 Q9UQL6 2/20 0.62
TNKS O95271 1/20 0.62
TNKS2 Q9H2K2 1/20 0.62
KDM4E B2RXH2 3/20 0.61
MAPK1 P28482 2/20 0.61
FFAR1 O14842 2/20 0.54
ESR1 P03372 2/20 0.53
ESR2 Q92731 2/20 0.53
CA12 O43570 2/20 0.53

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
SCHEMBL12880589 0.82 TSHR (0.46) HDAC1CYP1A2MAOBMEN1KMT2A
SCHEMBL3156394 0.82 KDM4E (0.71) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL28002416 0.80 KDM4E (0.73) HCAR2HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL11660819 0.79 HCAR2 (0.76) HCAR2HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL11660816 0.79 HCAR2 (0.76) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10747790 0.78 HDAC1 (0.91) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10747786 0.78 HDAC1 (0.91) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL10747781 0.78 HDAC1 (0.91) HCAR2HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL1332 0.78 HCAR2 (1.00) HCAR2HDAC3HDAC4HDAC1HDAC7
Cinnamic Acid SCHEMBL50466 0.78 HCAR2 (1.00) HCAR2HDAC3HDAC4HDAC1HDAC7

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-4189571-A Esters of cromoglycates FISONS LIMITED (GB) 1980-02-19 US disclosed