SCHEMBL3909801

SCHEMBL3909801

CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)O)C2

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.63
MEN1 O00255 1/20 0.57
HTT P42858 1/20 0.57
KMT2A Q03164 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CPB2 Q96IY4 5/20 0.45
DPP4 P27487 2/20 0.44
HSD11B1 P28845 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL1694528 1.00 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL9754167 1.00 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL6314315 0.86 EPHX2 (0.63) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL11763385 0.84 EPHX2 (0.54) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL24105901 0.81 EPHX2 (0.58) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL11358783 0.81 EPHX2 (0.54) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL1071969 0.80 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL22345049 0.80 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL3299879 0.80 EPHX2 (0.61) EPHX2MEN1HTTKMT2ASMN1; SMN2
SCHEMBL23898650 0.80 MEN1 (0.59) EPHX2MEN1HTTKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323708-B1 Method for producing carbamates and method for producing isocyanates MITSUI TAKEDA CHEMICALS INC (JP) 2009-03-18 EP disclosed