SCHEMBL7753485

SCHEMBL7753485

CC1(C)C2CC[C@]1(CS([N])(=O)=O)C(=O)C2

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 2/20 0.63
F2 P00734 2/20 0.62
PRSS1 P07477 2/20 0.62
PRSS2 P07478 2/20 0.62
PRSS3 P35030 2/20 0.62
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
KDM4E B2RXH2 1/20 0.55
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
CA5A P35218 6/20 0.53
CA5B Q9Y2D0 6/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.52
PKM P14618 1/20 0.52

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
SCHEMBL10000728 0.85 KMT2A (0.70) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL1362019 0.85 KMT2A (0.70) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL863312 0.85 KMT2A (0.70) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL5960692 0.85 KMT2A (0.70) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL12705857 0.85 KMT2A (0.70) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL23124424 0.84 KMT2A (0.68) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL1500774 0.84 KMT2A (0.68) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL2385301 0.84 KMT2A (0.68) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL20729441 0.84 KMT2A (0.68) KMT2AALDH1A1F2PRSS1PRSS2
SCHEMBL1696817 0.84 KMT2A (0.68) KMT2AALDH1A1F2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1082291-A1 CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2001-03-14 EP claimed
WO-1999062864-A1 CHEMICAL PROCESS FOR THE STEREOSELECTIVE SYNTHESIS OF R-(-)-CARNITINE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1999-12-09 WO claimed