SCHEMBL16604875

SCHEMBL16604875

CCOc1ccc(-c2ccc(C(=O)Oc3ccc(OC)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.57
CYP1A2 P05177 2/20 0.56
NPC1 O15118 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CCNC P24863 1/20 0.56
CDK8 P49336 1/20 0.56
LMNA P02545 2/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAOB P27338 1/20 0.54
GFER P55789 1/20 0.52
PRSS1 P07477 1/20 0.52
ACR P10323 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51

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
SCHEMBL9905983 0.95 KMT2A (0.66) KMT2AMAPTTP53THRBCYP1A2
SCHEMBL9905856 0.95 KMT2A (0.66) KMT2AMAPTTP53THRBCYP1A2
SCHEMBL13873205 0.95 KMT2A (0.66) KMT2AMAPTTP53THRBCYP1A2
SCHEMBL12736338 0.94 KMT2A (0.68) KMT2AMAPTTP53THRBCYP1A2
SCHEMBL11943005 0.94 KMT2A (0.68) KMT2AMAPTTP53THRBCYP1A2
SCHEMBL16604882 0.91 KMT2A (0.65) KMT2AMAPTTP53THRBNPC1
SCHEMBL14817293 0.88 LMNA (0.68) KMT2AMAPTCYP1A2NPC1KDM4E
SCHEMBL13859676 0.88 LMNA (0.68) KMT2AMAPTCYP1A2NPC1KDM4E
SCHEMBL16604902 0.88 LMNA (0.68) KMT2AMAPTCYP1A2NPC1KDM4E
SCHEMBL9905987 0.88 KMT2A (0.73) KMT2AMAPTTHRBCYP1A2NPC1

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
US-20160109761-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR MANUFACTURING SAME MERCK PATENT GMBH (DE) 2016-04-21 US disclosed
US-20150092145-A1 LIQUID CRYSTAL DISPLAY DEVICE AND METHOD FOR MANUFACTURING SAME SHARP KABUSHIKI KAISHA (JP) 2015-04-02 US disclosed