SCHEMBL10778646

SCHEMBL10778646

COc1ccc(C[C@](CO)(NC(C)=O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 1/20 0.43
LDHA P00338 1/20 0.43
F2RL1 P55085 1/20 0.42
ALDH1A1 P00352 1/20 0.41
MMP1 P03956 1/20 0.41
MMP13 P45452 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PTPRB P23467 1/20 0.40
SAE1 Q9UBE0 1/20 0.40
UBA2 Q9UBT2 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ACACB O00763 1/20 0.40

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
Methoxymethane SCHEMBL10782344 0.86 BLM (0.45) SMN1; SMN2ALDH1A1KDM4EPOLBACACB
Methoxymethane SCHEMBL10777820 0.86 BLM (0.45) SMN1; SMN2ALDH1A1KDM4EPOLBACACB
SCHEMBL10779084 0.82 ALDH1A1 (0.47) SMN1; SMN2LDHAALDH1A1KDM4EPOLB
SCHEMBL10779111 0.82 ALDH1A1 (0.47) SMN1; SMN2LDHAALDH1A1KDM4EPOLB
SCHEMBL10535719 0.79 SMN1; SMN2 (0.49) SMN1; SMN2HTTLDHAF2RL1ALDH1A1
SCHEMBL10777945 0.78 KDM4E (0.54) SMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL16341200 0.77 ACACB (0.60) SMN1; SMN2HTTLDHAF2RL1MMP1
SCHEMBL27469291 0.74 HPGD (0.47) ALDH1A1KDM4E
SCHEMBL3938137 0.73 GAA (0.55) SMN1; SMN2ALDH1A1MMP1MMP13KDM4E
SCHEMBL3938131 0.73 GAA (0.55) SMN1; SMN2ALDH1A1MMP1MMP13KDM4E

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
US-4695588-A DECARBOXYLASE INHIBITORS MERCK & CO., INC. (US) 1987-09-22 US disclosed