SCHEMBL8970652

SCHEMBL8970652

CC(C)COP(C)(=O)CC(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
CTSK P43235 5/20 0.34
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
CTSB P07858 1/20 0.34
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.32
CYP2D6 P10635 1/20 0.31
EPHX2 P34913 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL13546218 0.81 TDP1 (0.39) MEN1KMT2AGAATDP1CTSK
SCHEMBL9197708 0.77 TDP1 (0.41) MEN1KMT2AGAATDP1CA1
SCHEMBL7820712 0.76 TDP1 (0.42) MEN1KMT2AGAATDP1CTSK
SCHEMBL8016459 0.74 KMT2A (0.39) MEN1KMT2AGAATDP1CTSK
SCHEMBL4714065 0.73 TDP1 (0.52) MEN1KMT2AGAATDP1CTSK
SCHEMBL12413739 0.72 MEN1 (0.44) MEN1KMT2AGAATDP1CTSK
SCHEMBL24928346 0.71 MEN1 (0.46) MEN1KMT2AGAATDP1CTSK
SCHEMBL1116455 0.70 MEN1 (0.41) MEN1KMT2AGAATDP1CTSK
SCHEMBL6053122 0.69 MEN1 (0.38) MEN1KMT2AGAATDP1MAOA
SCHEMBL1696854 0.68 TDP1 (0.47) MEN1KMT2AGAATDP1CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5567840-A AS 4-AMINOBUTYRIC ACID AGONIST; MUSCLE RELAXANTS CIBA-GEIGY CORPORATION (US) 1996-10-22 US disclosed
US-5461040-A Therapy of spinal spacticity, multiple sclerosis, cerebral palsy, trigeminus neuralgia, drug withdrawal, pain CIBA-GEIGY CORPORATION (US) 1995-10-24 US disclosed
EP-0399949-B1 Substituted aminoalkylphosphinic acids CIBA GEIGY AG (CH) 1995-04-12 EP disclosed
US-5281747-A Pharmaceuticals CIBA-GEIGY CORPORATION (US) 1994-01-25 US disclosed
EP-0399949-A1 Substituted aminoalkylphosphinic acids CIBA-GEIGY AG (CH) 1990-11-28 EP disclosed