SCHEMBL18240761

SCHEMBL18240761

COc1ccc(C(C=C(C)C(=O)O)c2ccc(OC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ACP3 P15309 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
ALOX12 P18054 1/20 0.42
LDHA P00338 1/20 0.42
THRB P10828 1/20 0.42
ATM Q13315 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL18240760 1.00 FFAR1 (0.45) FFAR1CA1CA2ACP3L3MBTL1
SCHEMBL18240644 0.95 ACP3 (0.51) ACP3L3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL18240641 0.95 ACP3 (0.51) ACP3L3MBTL1ALDH1A1MAPTCYP3A4
SCHEMBL18240796 0.94 HPGD (0.50) ALDH1A1MAPTMAPK1TDP1CYP3A4
SCHEMBL18240613 0.94 ACHE (0.46) FFAR1CA1CA2ACP3ALDH1A1
SCHEMBL18240798 0.94 HPGD (0.50) ALDH1A1MAPTMAPK1TDP1CYP3A4
SCHEMBL18240612 0.94 ACHE (0.46) FFAR1CA1CA2ACP3ALDH1A1
SCHEMBL18240620 0.92 FFAR1 (0.50) FFAR1ALDH1A1CYP1A2MAPK1CYP3A4
SCHEMBL18240619 0.92 FFAR1 (0.50) FFAR1ALDH1A1CYP1A2MAPK1CYP3A4
SCHEMBL18240662 0.86 GAA (0.41) ACP3L3MBTL1ALDH1A1NPSR1NPC1

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