SCHEMBL9601913

SCHEMBL9601913

CCOC(=O)C1C(=O)CCN1C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
MAPT P10636 4/20 0.38
TLR4 O00206 1/20 0.37
ELANE P08246 1/20 0.36
CTSG P08311 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL15177082 0.89 ALDH1A1 (0.38) ALDH1A1MAPTTLR4HSD17B10GAA
SCHEMBL1326298 0.88 NFKB1 (0.40) ALDH1A1MAPTHSD17B10GAAKMT2A
SCHEMBL13032699 0.85 ELANE (0.48) ELANEKMT2AKDM4EMEN1L3MBTL1
SCHEMBL15372400 0.84 TLR4 (0.36) ALDH1A1MAPTTLR4HSD17B10POLB
SCHEMBL10499729 0.83 ALDH1A1 (0.37) ALDH1A1MAPTTLR4HSD17B10GAA
SCHEMBL12123896 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHSD17B10GAAKMT2A
SCHEMBL31603663 0.80 MEN1 (0.42) ALDH1A1MAPTHSD17B10GAAKMT2A
SCHEMBL9185214 0.79 GAA (0.41) ALDH1A1MAPTELANECTSGGAA
SCHEMBL27141245 0.79 PTGDR2 (0.36)
SCHEMBL14447724 0.76 ALDH1A1 (0.37) ALDH1A1MAPTHSD17B10GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5217963-A Antiischemic, antiepileptic agent CIBA-GEIGY CORPORATION (US) 1993-06-08 US disclosed
US-5057506-A Anticonvulsants, antispasmodic and antischemic agents CIBA-GEIGY CORPORATION (US) 1991-10-15 US disclosed
EP-0203891-B1 CERTAIN PHOSPHONIC ACIDS AND DERIVATIVES CIBA-GEIGY AG (CH) 1991-05-15 EP disclosed
US-4906621-A Certain 2-carboxypiperidyl-alkylene phosphonic acids and esters thereof useful for the treatment of disorders responsive to N-methyl-D-aspartate receptor blockade CIBA-GEIGY CORPORATION (US) 1990-03-06 US disclosed
US-4898854-A NERVOUS SYSTEM DISORDERS CIBA-GEIGY CORPORATION (US) 1990-02-06 US disclosed
EP-0203891-A2 Certain phosphonic acids and derivatives CIBA-GEIGY AG (CH) 1986-12-03 EP disclosed