SCHEMBL21944478

SCHEMBL21944478

COCOC1C(=O)N(c2ccc(OC)cc2)C1C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
HSD11B1 P28845 4/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP2C19 P33261 2/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
RXFP1 Q9HBX9 3/20 0.35
CCR1 P32246 1/20 0.35

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
SCHEMBL18686883 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL18716411 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL23192345 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL18716410 1.00 SMN1; SMN2 (0.38) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL4184525 0.81 SMN1; SMN2 (0.37) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL19807111 0.78 HSD11B1 (0.43) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL19444202 0.78 HSD11B1 (0.43) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL9368238 0.77 SMN1; SMN2 (0.39) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL18686886 0.76 HSD11B1 (0.42) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A
SCHEMBL18716413 0.76 HSD11B1 (0.42) SMN1; SMN2HSD11B1NPSR1L3MBTL1RAB9A

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-3150581-B1 PYRIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2020-04-15 EP disclosed