SCHEMBL6557546

SCHEMBL6557546

CCOC(Cn1c(-c2cccc(C)c2)ncc(C(=O)O)c1=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 9/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
CMA1 P23946 7/20 0.40
GRIN1 Q05586 3/20 0.39
GRIN2B Q13224 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MDM2 Q00987 1/20 0.37
DHODH Q02127 2/20 0.37
MAPT P10636 1/20 0.37
KMO O15229 1/20 0.37

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
SCHEMBL6556361 0.91 MAPT (0.42) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL7152432 0.91 MAPT (0.41) CTRCKDM4EALDH1A1CMA1MEN1
SCHEMBL6558388 0.90 KDM4E (0.49) CTRCKDM4EALDH1A1GAAPKM
SCHEMBL6556282 0.88 KDM4E (0.38) KDM4EALDH1A1GAAPKMMEN1
SCHEMBL6558315 0.86 MEN1 (0.42) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL6556504 0.84 CSNK1D (0.37) KDM4EALDH1A1GAAPKMMEN1
SCHEMBL6556234 0.83 ELANE (0.39) KDM4EALDH1A1GAA
SCHEMBL6557511 0.83 P2RX3 (0.41) KDM4EALDH1A1KMT2AHPGDMAPT
SCHEMBL6558138 0.83 KDM4E (0.50) KDM4EALDH1A1GAAGRIN1GRIN2B
SCHEMBL6558284 0.82 KDM4E (0.53) KDM4EALDH1A1GAAMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0826671-B1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
EP-0826671-A1 HETEROCYCLIC AMIDE COMPOUNDS AND MEDICINAL USE OF THE SAME THE GREEN CROSS CORPORATION (JP) 1998-03-04 EP disclosed