SCHEMBL1247158

SCHEMBL1247158

C=CC(=O)OOC(=O)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
MAPT P10636 3/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 1/20 0.40
PLK1 P53350 1/20 0.39
PLK2 Q9NYY3 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL18783181 0.87 CYP3A4 (0.50) NPC1MAPTLMNACYP3A4TSHR
SCHEMBL127127 0.85 NPC1 (0.53) NPC1RAB9AKMT2AMEN1ESR1
SCHEMBL6754597 0.84 NPC1 (0.44) NPC1RAB9AKMT2AMEN1ESR1
SCHEMBL27979749 0.83 LMNA (0.50) KMT2AMAPTLMNACYP3A4TSHR
SCHEMBL1254075 0.82 TSHR (0.66) LMNACYP3A4TSHRALDH1A1TP53
SCHEMBL17133609 0.81 ALDH1A1 (0.50) KMT2AMAPTLMNACYP3A4ALDH1A1
SCHEMBL7633538 0.80 NPC1 (0.46) NPC1RAB9AKMT2AMEN1ESR1
SCHEMBL15946442 0.79 THRB (0.54) KMT2AMEN1LMNACYP3A4TSHR
SCHEMBL1249886 0.78 TSHR (0.46) NPC1KMT2AMEN1LMNACYP3A4
SCHEMBL13355960 0.78 NPC1 (0.47) NPC1RAB9AKMT2AMEN1ESR1

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-2285587-A2 IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS SICPA HOLDING SA (CH) 2011-02-23 EP disclosed
WO-2009121605-A2 IDENTIFICATION AND AUTHENTICATION USING LIQUID CRYSTAL MATERIAL MARKINGS SICPA HOLDING S.A. (CH) 2009-10-08 WO disclosed