SCHEMBL3667018

SCHEMBL3667018

Nc1ccc(C(CO)NCCO)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 9/20 0.36
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
MAN2A1 Q16706 3/20 0.33
MAN1B1 Q9UKM7 3/20 0.33
SOAT1 P35610 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP19A1 P11511 1/20 0.33
MAN2B1 O00754 2/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL3675296 0.82 LMNA (0.46) ADRB2CNR1SMN1; SMN2
SCHEMBL95419 0.81 ALDH1A1 (0.44) ADRB2CNR2CNR1MAN2A1MAN1B1
SCHEMBL258306 0.80 MAN2A1 (0.49) MAN2A1MAN1B1SMN1; SMN2MAN2B1RAB9A
SCHEMBL5960304 0.79 ADRB2 (0.39) ADRB2CNR2MAN2A1MAN1B1SOAT1
SCHEMBL9524984 0.78 ALDH1A1 (0.47) ADRB2SMN1; SMN2
SCHEMBL3653564 0.77 CYP3A4 (0.43) ADRB2SMN1; SMN2RAB9A
SCHEMBL17164220 0.76 ADRB2 (0.48) ADRB2MAN2A1MAN1B1SOAT1MAN2B1
SCHEMBL17504452 0.76 ADRB2 (0.48) ADRB2MAN2A1MAN1B1SOAT1MAN2B1
SCHEMBL4896515 0.76 ALDH1A1 (0.35) SMN1; SMN2
Hydrochloric Acid SCHEMBL2934770 0.76 SMN1; SMN2 (0.44) ADRB2SMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231607-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-AMINO-3-HYDROXYPYRIDINE, AND HAIR DYEING PROCESS USING THESE DYES AND PRECURSORS L'Oréal (FR) 2010-09-29 EP disclosed
WO-2009077392-A1 AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM 2-AMINO-3-HYDROXYPYRIDINE, AND HAIR DYEING PROCESS USING THESE DYES AND PRECURSORS L'OREAL (FR) 2009-06-25 WO disclosed