SCHEMBL9756843

SCHEMBL9756843

O=C(O)C=Cc1sccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
HCAR2 Q8TDS4 5/20 0.47
EIF2AK2 P19525 1/20 0.42
CSNK2A2 P19784 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42
POLB P06746 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

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
SCHEMBL9756842 1.00 AKR1C3 (0.47) AKR1C3AKR1C2HCAR2EIF2AK2CSNK2A2
SCHEMBL12074783 0.79 KDR (0.40) POLBKDM4EMAPTHPGDTDP1
SCHEMBL12078966 0.78 CA1 (0.50) AKR1C3AKR1C2HCAR2EIF2AK2CSNK2A2
SCHEMBL5374080 0.78 POLB (0.36) POLBCA1CA2CA12CA7
SCHEMBL5283646 0.77 HCAR2 (0.47) HCAR2POLBHDAC3HDAC4HDAC1
SCHEMBL9756815 0.77 HCAR2 (0.47) AKR1C3AKR1C2HCAR2POLBHDAC3
SCHEMBL9756814 0.77 HCAR2 (0.47) AKR1C3AKR1C2HCAR2POLBHDAC3
SCHEMBL5283644 0.77 HCAR2 (0.47) HCAR2POLBHDAC3HDAC4HDAC1
SCHEMBL20764826 0.77 MIF (0.47) AKR1C3AKR1C2HCAR2POLBHDAC3
SCHEMBL15609752 0.76 HCAR2 (0.46) AKR1C3AKR1C2HCAR2POLBHDAC3

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