SCHEMBL17301241

SCHEMBL17301241

CCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.49
CCNC P24863 1/20 0.48
CDK8 P49336 1/20 0.48
MEN1 O00255 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 4/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
THRB P10828 1/20 0.45

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
SCHEMBL17304609 0.95 KMT2A (0.53) KMT2ACCNCCDK8NPC1MAPT
SCHEMBL14016864 0.91 KMT2A (0.53) KMT2AMEN1SMN1; SMN2NPC1CYP1A2
SCHEMBL17301225 0.87 KMT2A (0.51) KMT2ACCNCCDK8NPC1MAOB
SCHEMBL17301236 0.85 KMT2A (0.55) KMT2AMEN1SMN1; SMN2NPC1CYP1A2
SCHEMBL14363846 0.85 KMT2A (0.52) KMT2ACCNCCDK8MEN1SMN1; SMN2
SCHEMBL17301253 0.85 TP53 (0.55) KMT2ACCNCCDK8MEN1SMN1; SMN2
SCHEMBL31321681 0.84 KMT2A (0.57) KMT2ACCNCCDK8MEN1SMN1; SMN2
SCHEMBL17301240 0.84 KMT2A (0.47) KMT2AMEN1SMN1; SMN2NPC1CYP1A2
SCHEMBL17301250 0.84 MAPT (0.61) KMT2ACCNCCDK8MAOBHPGD
SCHEMBL12536665 0.83 KMT2A (0.66) KMT2ACCNCCDK8MEN1NPC1

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-20150344782-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, POLYMER MATERIAL AND METHOD FOR MANUFACTURING THE SAME, AND FILM FUJIFILM CORPORATION (JP) 2015-12-03 US disclosed