SCHEMBL9602954

SCHEMBL9602954

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

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CTSG P08311 1/20 0.37
ALDH1A1 P00352 7/20 0.36
MAPT P10636 2/20 0.35
THRB P10828 1/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
FKBP1A P62942 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9602575 0.88 ELANE (0.36) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9602002 0.85 ELANE (0.36) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9602059 0.85 ELANE (0.39) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9603125 0.83 ELANE (0.33) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9603082 0.80 MAPT (0.38) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL10677033 0.79 MAPT (0.39) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9602604 0.77 MAPT (0.38) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9602994 0.77 MAPT (0.35) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL9602659 0.73 MAPT (0.35) ELANECTSGALDH1A1MAPTTHRB
SCHEMBL31667835 0.73 MEN1 (0.41) ALDH1A1MAPTTSHRKMT2AFKBP1A

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
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
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