SCHEMBL9756926

SCHEMBL9756926

Cc1cc(C=CC(=O)O)cs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
HCAR2 Q8TDS4 4/20 0.45
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
TNKS O95271 1/20 0.45
TNKS2 Q9H2K2 1/20 0.45
KDM4E B2RXH2 6/20 0.43
HSD17B10 Q99714 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
PKM P14618 3/20 0.43

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
SCHEMBL9756924 1.00 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL4063254 0.77 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL390358 0.77 AKR1C3 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4063251 0.77 DAO (0.47) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL390357 0.77 AKR1C3 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL9756825 0.77 DAO (0.51) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL9756823 0.77 DAO (0.51) DAOHCAR2HDAC3HDAC4HDAC1
SCHEMBL8746677 0.71 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL8746675 0.71 HCAR2 (0.64) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL4841041 0.71 KDM4E (0.53) 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 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