SCHEMBL18240644

SCHEMBL18240644

COc1ccc(C(C=C(C)C(=O)O)c2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 2/20 0.46
MAPT P10636 2/20 0.46
RAB9A P51151 2/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.45
CNR2 P34972 2/20 0.45
KMT2A Q03164 2/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CNR1 P21554 1/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
KLK7 P49862 2/20 0.44
GAA P10253 1/20 0.44
GPR88 Q9GZN0 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL18240641 1.00 ACP3 (0.51) ACP3L3MBTL1NPC1MAPTRAB9A
SCHEMBL18240760 0.95 FFAR1 (0.45) ACP3L3MBTL1NPC1MAPTRAB9A
SCHEMBL18240761 0.95 FFAR1 (0.45) ACP3L3MBTL1NPC1MAPTRAB9A
SCHEMBL18240612 0.89 ACHE (0.46) ACP3NPC1MAPTRAB9ANPSR1
SCHEMBL18240798 0.89 HPGD (0.50) NPC1MAPTRAB9ANPSR1ALDH1A1
SCHEMBL18240613 0.89 ACHE (0.46) ACP3NPC1MAPTRAB9ANPSR1
SCHEMBL18240796 0.89 HPGD (0.50) NPC1MAPTRAB9ANPSR1ALDH1A1
SCHEMBL18240619 0.88 FFAR1 (0.50) NPSR1ALDH1A1CNR2KMT2ACNR1
SCHEMBL18240620 0.88 FFAR1 (0.50) NPSR1ALDH1A1CNR2KMT2ACNR1
SCHEMBL18240662 0.88 GAA (0.41) ACP3L3MBTL1NPC1RAB9ANPSR1

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-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP claimed