SCHEMBL12471306

SCHEMBL12471306

C=CC(=O)OC(CC)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HCAR2 Q8TDS4 1/20 0.40
CYP3A4 P08684 1/20 0.39
THRB P10828 2/20 0.38
LMNA P02545 1/20 0.38
TEAD3 Q99594 1/20 0.38
RCE1 Q9Y256 1/20 0.37
MAPT P10636 1/20 0.37
TGM2 P21980 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL632703 0.82 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1CYP2C9CYP2C19
SCHEMBL17471375 0.81 ALDH1A1 (0.53) SLC1A3SLC1A2SLC1A1CYP2C9CYP2C19
SCHEMBL218320 0.79 THRB (0.46) KMT2AMEN1TSHRALDH1A1CYP3A4
SCHEMBL9650729 0.78 TSHR (0.45) KMT2AMEN1CYP1A2CYP2D6TSHR
SCHEMBL17439436 0.77 PPARG (0.42) TSHRTHRB
SCHEMBL3079998 0.77 TSHR (0.48) SLC1A3SLC1A2SLC1A1CYP2C9CYP2C19
SCHEMBL3390970 0.76 TSHR (0.42) CYP1A2TSHRALDH1A1THRBLMNA
SCHEMBL1110901 0.76 CYP3A4 (0.47) TSHRALDH1A1CYP3A4THRBLMNA
SCHEMBL237171 0.76 TSHR (0.39) TSHRALDH1A1CYP3A4THRBMAPK1
SCHEMBL28907212 0.75 LMNA (0.39) CYP2C19KMT2AMEN1TSHRHCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2673666-A1 LOW-TACK, HYDROPHOBIC OPHTHALMIC DEVICE MATERIALS Novartis AG (CH) 2013-12-18 EP claimed
WO-2012109228-A1 LOW-TACK, HYDROPHOBIC OPHTHALMIC DEVICE MATERIALS NOVARTIS AG (CH) 2012-08-16 WO claimed