SCHEMBL9756815

SCHEMBL9756815

O=C(O)C=Cc1sccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.47
MAPT P10636 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41
TNKS O95271 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA4 P22748 3/20 0.40
NFKB1 P19838 2/20 0.40
KDM4E B2RXH2 3/20 0.39

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
SCHEMBL9756814 1.00 HCAR2 (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL4947643 0.81 MAOB (0.53) MAPTHDAC3HDAC4HDAC1HDAC7
SCHEMBL12078966 0.78 CA1 (0.50) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL4946662 0.78 CYP1B1 (0.53) MAPTHDAC4HDAC1MAPK1HPGD
SCHEMBL9756843 0.77 AKR1C3 (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL9756842 0.77 AKR1C3 (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL20764826 0.77 MIF (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL5283646 0.77 HCAR2 (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL5283644 0.77 HCAR2 (0.47) HCAR2MAPTHDAC3HDAC4HDAC1
SCHEMBL15609752 0.76 HCAR2 (0.46) HCAR2MAPTHDAC3HDAC4HDAC1

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