SCHEMBL7703878

SCHEMBL7703878

CN1c2ccccc2-c2ccccc2C1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.56
KCNA3 P22001 5/20 0.44
HDAC4 P56524 2/20 0.42
HDAC7 Q8WUI4 2/20 0.42
HDAC5 Q9UQL6 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
POLB P06746 1/20 0.40
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 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
SCHEMBL2597682 0.81 ALDH1A1 (0.53) KDM4EALDH1A1GAAPOLBMEN1
SCHEMBL9377925 0.72 GPR3 (1.00) GPR3HDAC4HDAC7HDAC5KDM4E
SCHEMBL27961797 0.71 HDAC4 (0.41) GPR3HDAC4HDAC7HDAC5KDM4E
SCHEMBL23356616 0.71 GPR3 (0.54) GPR3KCNA3HDAC4HDAC7HDAC5
SCHEMBL9388058 0.68 NOTUM (0.41) HDAC4HDAC7HDAC5KDM4EALDH1A1
SCHEMBL28283765 0.67 HDAC4 (0.43) HDAC4HDAC7HDAC5KDM4EALDH1A1
SCHEMBL2989515 0.67 HDAC4 (0.66) HDAC4HDAC7HDAC5GAAMEN1
SCHEMBL31613807 0.67 HDAC4 (0.66) HDAC4HDAC7HDAC5GAAMEN1
SCHEMBL1888409 0.67 FFAR1 (0.54) ALDH1A1GAAMEN1KMT2AFFAR1
SCHEMBL19953652 0.67 ACE (0.47) HDAC4HDAC7HDAC5HDAC3HDAC8

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
EP-0915851-B1 DIBENZODIHYDROPYRIDINECARBOXYLIC ESTERS AND THEIR USE IN CHEMILUMINESCENT ASSAY METHODS NEDERLANDEN STAAT (NL) 2002-03-20 EP disclosed
US-6030803-A FOR USE AS SUBSTRATE IN PEROXIDASE ASSAYS; ALPHA-CARBON ATOM OF THE ESTER ALKYL GROUP IS AN ALIPHATIC CARBON ATOM DE STAAT DER NEDERLANDEN, VERTEGENWOORDIGD DOOR DE MINISTER VAN WELZIJN, VOLKSGESZONHEID EN CULTUUR (NL) 2000-02-29 US disclosed