SCHEMBL19035696

SCHEMBL19035696

CCCCN1C(=O)C(C)C(C(C)c2ccccc2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.43
CNR1 P21554 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
CYP19A1 P11511 1/20 0.36
CDC25A P30304 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 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
SCHEMBL17132242 0.83 CNR2 (0.39) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL17132244 0.80 CNR2 (0.36) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL14263546 0.79 KMT2A (0.46) SMN1; SMN2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14226211 0.78 CNR2 (0.41) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL14263555 0.77 ALDH1A1 (0.39) ALDH1A1KMT2APOLBPKM
SCHEMBL10338129 0.75 ALDH1A1 (0.40) CNR2CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL26803224 0.74 CNR2 (0.48) CNR2CNR1ALDH1A1CDC25A
SCHEMBL12355612 0.73 HRH1 (0.39) CNR1SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL14998121 0.73 SMN1; SMN2 (0.53) CNR2CNR1SMN1; SMN2ALDH1A1MEN1
SCHEMBL14560417 0.69 CNR2 (0.55) CNR2CNR1SMN1; SMN2NPC1RAB9A

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-9689114-B2 Strengthening resins for paper products GEORGIA-PACIFIC CHEMICALS LLC (US) 2017-06-27 US disclosed