SCHEMBL9370376

SCHEMBL9370376

COc1ccc(N2C(=O)[C@H](O)[C@@H]2c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.77
SOAT1 P35610 1/20 0.55
HSD11B1 P28845 2/20 0.55
GFER P55789 1/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CNR1 P21554 2/20 0.50
CNR2 P34972 2/20 0.50
LMNA P02545 1/20 0.49
KMT2A Q03164 1/20 0.49
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA4 P22748 2/20 0.46
CA7 P43166 2/20 0.46

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
SCHEMBL9407826 1.00 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1HSD11B1GFERALDH1A1
SCHEMBL15841495 1.00 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1HSD11B1GFERALDH1A1
SCHEMBL9370383 1.00 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1HSD11B1GFERALDH1A1
SCHEMBL9407829 0.94 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14675649 0.85 SMN1; SMN2 (0.72) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14681891 0.84 SMN1; SMN2 (0.74) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14681892 0.84 SMN1; SMN2 (0.74) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14675225 0.84 SMN1; SMN2 (0.74) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14675224 0.84 SMN1; SMN2 (0.74) SMN1; SMN2SOAT1HSD11B1ALDH1A1MAPT
SCHEMBL14440739 0.81 SMN1; SMN2 (0.59) SMN1; SMN2SOAT1HSD11B1GFERALDH1A1

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-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US disclosed