SCHEMBL9603009

SCHEMBL9603009

CCOC(=O)C1C(C(CC)(CC)CC=CP(=O)(O)O)CCN1C(=O)OCC

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
FKBP1A P62942 2/20 0.32
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30
TLR4 O00206 1/20 0.30

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
SCHEMBL9602107 0.83 FKBP1A (0.36) MAPTFKBP1AELANECTSG
SCHEMBL9602653 0.77 FKBP1A (0.36) MAPTFKBP1A
SCHEMBL9603126 0.76 ELANE (0.34) FKBP1AELANECTSG
SCHEMBL9602345 0.75 KDM4E (0.30) MAPT
SCHEMBL9602116 0.74 FKBP1A (0.34) MAPTFKBP1A
SCHEMBL9602119 0.72 FKBP1A (0.36) MAPTFKBP1AELANECTSG
SCHEMBL9602659 0.66 MAPT (0.35) MAPTFKBP1AELANECTSG
SCHEMBL9603006 0.65 MAPT (0.33) MAPTELANECTSG
SCHEMBL9602059 0.64 ELANE (0.39) MAPTFKBP1AELANECTSG
SCHEMBL9602954 0.64 ELANE (0.37) MAPTFKBP1AELANECTSG

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