SCHEMBL14648282

SCHEMBL14648282

C=C(C)C(=O)OC(c1ccccc1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.56
TDO2 P48775 2/20 0.56
ACP3 P15309 2/20 0.48
GAA P10253 2/20 0.46
CES2 O00748 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
POLB P06746 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PNMT P11086 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 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
SCHEMBL14648181 0.96 IDO1 (0.49) IDO1TDO2ACP3GAACES2
SCHEMBL14648173 0.87 ACP3 (0.48) IDO1TDO2ACP3CES2MEN1
SCHEMBL1131746 0.82 ESR1 (0.49) KMT2AALDH1A1CYP3A4
SCHEMBL14648279 0.78 ACP3 (0.46) IDO1TDO2ACP3KMT2AALDH1A1
SCHEMBL14648295 0.77 MEN1 (0.42) MEN1KMT2ANPSR1L3MBTL1EPHX1
SCHEMBL14938033 0.77 ALDH1A1 (0.43) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14648207 0.77 HDAC4 (0.45) IDO1TDO2CES2CYP2C9
SCHEMBL14648171 0.77 NPC1 (0.42) GAAMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27990971 0.76 ESR1 (0.39) CES2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL28922018 0.76 HTR2A (0.44) ACP3CES2MEN1KMT2ACYP1A2

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 12 patents. 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
EP-2906970-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK Novartis AG (CH) 2015-08-19 EP claimed
CN-104620137-A High refractive index ophthalmic device materials with reduced tack NOVARTIS AG 2015-05-13 CN claimed
WO-2014062151-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2014-04-24 WO claimed
US-20130030079-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2013-01-31 US claimed
US-8362177-B1 High refractive index ophthalmic device materials with reduced tack NOVARTIS AG (CH) 2013-01-29 US claimed
EP-2906970-B1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2016-11-23 EP disclosed
EP-2906970-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK Novartis AG (CH) 2015-08-19 EP disclosed
CN-104620137-A High refractive index ophthalmic device materials with reduced tack NOVARTIS AG 2015-05-13 CN disclosed
WO-2014062151-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2014-04-24 WO disclosed
US-20130030079-A1 HIGH REFRACTIVE INDEX OPHTHALMIC DEVICE MATERIALS WITH REDUCED TACK NOVARTIS AG (CH) 2013-01-31 US disclosed
US-8362177-B1 High refractive index ophthalmic device materials with reduced tack NOVARTIS AG (CH) 2013-01-29 US disclosed