SCHEMBL9602653

SCHEMBL9602653

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

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 3/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
PKM P14618 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
SCHEMBL9602116 0.93 FKBP1A (0.34) FKBP1AMAPTALDH1A1HTTKMT2A
SCHEMBL9602107 0.83 FKBP1A (0.36) FKBP1AMAPTALDH1A1HTTKMT2A
SCHEMBL9602119 0.78 FKBP1A (0.36) FKBP1AMAPTALDH1A1HTTKMT2A
SCHEMBL9603009 0.77 MAPT (0.33) FKBP1AMAPT
SCHEMBL9603126 0.77 ELANE (0.34) FKBP1A
SCHEMBL8292249 0.73 MEN1 (0.32) FKBP1AALDH1A1KMT2A
SCHEMBL9602659 0.69 MAPT (0.35) FKBP1AMAPTALDH1A1GAA
SCHEMBL10677033 0.69 MAPT (0.39) FKBP1AMAPTALDH1A1GAAKDM4E
SCHEMBL13625758 0.69 MEN1 (0.42) FKBP1AMAPTALDH1A1KMT2A
SCHEMBL13625755 0.69 MEN1 (0.42) FKBP1AMAPTALDH1A1KMT2A

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