SCHEMBL11241115

SCHEMBL11241115

COc1cccc(C(=O)NC2CCCCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.75
NPC1 O15118 7/20 0.75
SMN1; SMN2 Q16637 5/20 0.75
LMNA P02545 1/20 0.75
GAA P10253 1/20 0.75
HPGD P15428 1/20 0.74
MEN1 O00255 4/20 0.74
KMT2A Q03164 4/20 0.74
ALDH1A1 P00352 3/20 0.73
TSHR P16473 1/20 0.73
GRM5 P41594 1/20 0.71
PKM P14618 1/20 0.71
KDM4E B2RXH2 1/20 0.63
GFER P55789 1/20 0.63
HSD17B10 Q99714 1/20 0.63
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C19 P33261 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
MAPK1 P28482 2/20 0.60

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
SCHEMBL1667825 0.99 RAB9A (0.73) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL2468483 0.93 NPC1 (0.71) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL12019472 0.91 MEN1 (0.65) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL30098987 0.86 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6455626 0.86 SMYD3 (0.69) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL29530916 0.86 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL6455623 0.86 SMYD3 (0.69) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL1711687 0.86 ALDH1A1 (0.63) RAB9ANPC1SMN1; SMN2LMNAGAA
SCHEMBL11244247 0.85 MEN1 (1.00) RAB9ANPC1SMN1; SMN2LMNAGAA
Hydrochloric Acid SCHEMBL31722313 0.85 ALDH1A1 (0.62) RAB9ANPC1SMN1; SMN2LMNAGAA

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-4342875-A STABILIZERS FOR OLEFIN POLYMERS CINCINNATI-MILACRON, INC. (US) 1982-08-03 US disclosed