SCHEMBL548190

SCHEMBL548190

COC(=O)[C@@H]1Cc2cc(OC)c(OC)cc21

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.43
NQO2 P16083 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GAA P10253 1/20 0.42
KMT2A Q03164 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3130145 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NQO2MTNR1AMTNR1BGAA
SCHEMBL547259 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL31409460 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL547261 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL547260 0.84 SMN1; SMN2 (0.44) SMN1; SMN2TRPV1CA1CA2
SCHEMBL15188762 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL15188760 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL15188761 0.84 SMN1; SMN2 (0.48) SMN1; SMN2NQO2MTNR1AMTNR1B
SCHEMBL548183 0.83
SCHEMBL548185 0.83

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-8110701-B2 Process for the preparation of functionalised benzocyclobutenes, and application in the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2012-02-07 US disclosed