SCHEMBL13845239

SCHEMBL13845239

CCCCCc1ccc(NC(=O)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.55
KDM4E B2RXH2 2/20 0.53
PLK1 P53350 2/20 0.51
NR1H4 Q96RI1 2/20 0.50
NPC1 O15118 1/20 0.49
GALR3 O60755 1/20 0.49
RAB9A P51151 1/20 0.49
ELANE P08246 1/20 0.49
PLK3 Q9H4B4 1/20 0.48
BDKRB2 P30411 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
THRB P10828 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ENPP1 P22413 1/20 0.47
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL16726556 0.87 THRB (0.60) KDM4EELANEMEN1KMT2ATHRB
SCHEMBL4056872 0.83 THRB (0.56) ELANEMEN1KMT2ATHRB
SCHEMBL2119008 0.78 TRPV1 (0.70) TRPV1KDM4EPLK1NPC1GALR3
SCHEMBL12338996 0.78 TRPV1 (0.70) TRPV1KDM4EPLK1NPC1GALR3
SCHEMBL12440862 0.78 TRPV1 (0.69) TRPV1KDM4EPLK1NPC1GALR3
SCHEMBL8361576 0.78 TRPV1 (0.69) TRPV1KDM4EPLK1NPC1GALR3
SCHEMBL4751447 0.78 TRPV1 (0.69) TRPV1KDM4EPLK1NPC1GALR3
SCHEMBL13181089 0.78 HPGD (0.57) NPC1RAB9ATHRBSPHK1
SCHEMBL17176950 0.77 CNR1 (0.57) NPC1RAB9AELANE
SCHEMBL17546519 0.77 CNR1 (0.57) NPC1RAB9AELANE

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
US-7534547-B2 Optically active compound and photosensitive resin composition OSAKA GAS COMPANY LIMITED (JP) 2009-05-19 US disclosed