SCHEMBL9756857

SCHEMBL9756857

O=C(O)C=Cc1cccc(Cl)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
NFE2L2 Q16236 8/20 0.47
HCAR2 Q8TDS4 3/20 0.44
HDAC3 O15379 2/20 0.44
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC7 Q8WUI4 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC10 Q969S8 2/20 0.44
HDAC11 Q96DB2 2/20 0.44
HDAC8 Q9BY41 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
HDAC9 Q9UKV0 2/20 0.44
HDAC5 Q9UQL6 2/20 0.44
TNKS O95271 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL9757025 1.00 KDM4E (0.53) KDM4ELMNANFE2L2HCAR2HDAC3
SCHEMBL1580113 0.79 KDM4E (0.54) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL1580114 0.79 KDM4E (0.54) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL3740611 0.78 CYP1B1 (0.55) LMNANFE2L2HDAC3HDAC4HDAC1
SCHEMBL22776706 0.78 KDM4E (0.53) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL22776708 0.78 KDM4E (0.53) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL3614976 0.78 KDM4E (0.53) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL22165730 0.78 GRM4 (0.58) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL13505625 0.78 KDM4E (0.53) KDM4ELMNAHCAR2HDAC3HDAC4
SCHEMBL13505629 0.78 KDM4E (0.53) KDM4ELMNAHCAR2HDAC3HDAC4

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-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed