SCHEMBL9603026

SCHEMBL9603026

CCOC(=O)C1CC(CC=O)CCN1C(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.37
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 1/20 0.33
MMP2 P08253 1/20 0.33
ANPEP P15144 1/20 0.33
IDH1 O75874 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ELANE P08246 1/20 0.32
CTSG P08311 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
SCHEMBL9602272 0.84 MEN1 (0.39) FKBP1AALDH1A1KMT2AMEN1LMNA
SCHEMBL9602595 0.82 FKBP1A (0.38) FKBP1AALDH1A1MAPTKMT2AMEN1
SCHEMBL9602206 0.81 FKBP1A (0.32) FKBP1AALDH1A1KMT2AMEN1IDH1
SCHEMBL9602485 0.74 FKBP1A (0.40) FKBP1AALDH1A1MAPTKMT2AMEN1
SCHEMBL468914 0.73 FKBP1A (0.57) FKBP1AALDH1A1MAPTKMT2AMEN1
SCHEMBL468912 0.73 FKBP1A (0.57) FKBP1AALDH1A1MAPTKMT2AMEN1
SCHEMBL13373975 0.72 FKBP1A (0.63) FKBP1AALDH1A1KMT2AMEN1TSHR
SCHEMBL8438674 0.71 FKBP1A (0.38) FKBP1AALDH1A1MAPTKMT2ACYP3A4
SCHEMBL9198547 0.70 GAA (0.56) ALDH1A1MAPTHTTTSHRRECQL
SCHEMBL16718840 0.70 MEN1 (0.44) ALDH1A1MAPTKMT2AMEN1CYP3A4

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