SCHEMBL11566692

SCHEMBL11566692

CC(C)(NC(=O)O)c1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 6/20 0.52
ACP3 P15309 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 1/20 0.45
GHSR Q92847 1/20 0.45
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PLK1 P53350 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MMP8 P22894 1/20 0.42
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29936164 0.83 HDAC3 (0.41) SSTR4ALDH1A1HSD17B10KMT2ANPC1
SCHEMBL10959083 0.82 KIF11 (0.43) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL12837475 0.82 SSTR4 (0.56) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL6435840 0.78 PDK1 (0.41) KDM4EALDH1A1NPC1RAB9ACYP2C9
SCHEMBL4592424 0.77 KDM4E (0.53) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL7287554 0.77 KDM4E (0.53) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL4678773 0.77 KDM4E (0.53) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL27245174 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL28546281 0.76 KDM4E (0.45) SSTR4ACP3KDM4EALDH1A1HSD17B10
SCHEMBL27702983 0.76 KDM4E (0.45) SSTR4ACP3KDM4EALDH1A1HSD17B10

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-4134977-A EXTRUDING PVC AND A SURFACE POROSITY CONTROL AGENT A. H. ROBINS COMPANY, INCORPORATED (US) 1979-01-16 US disclosed