SCHEMBL10455751

SCHEMBL10455751

COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OC)cc3)c(C)c2C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.64
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP3A4 P08684 1/20 0.54
RAB9A P51151 1/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
GAA P10253 2/20 0.52
TP53 P04637 1/20 0.52

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
SCHEMBL11953071 0.95 KMT2A (0.59) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL15482301 0.93 KMT2A (0.57) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL2610156 0.93 KMT2A (0.57) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL15591334 0.89 ESR2 (0.56) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL17304616 0.84 KMT2A (0.55) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL10042169 0.83 KMT2A (0.61) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL16351760 0.82 TDP1 (0.57) KMT2AESR1ESR2CYP1A2CYP2C9
SCHEMBL17933786 0.82 KMT2A (0.69) KMT2ACA1CA2L3MBTL1ESR1
SCHEMBL9666088 0.82 LMNA (0.75) KMT2ACA1CA2CYP1A2CYP2C9
SCHEMBL7591660 0.82 LMNA (0.75) KMT2ACA1CA2CYP1A2CYP2C9

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-2755076-B1 POLYMER-STABILIZED LIQUID CRYSTAL DISPLAY DEVICE AND MANUFACTURING METHOD THEREFOR BEIJING BOE OPTOELECTRONICS TECH CO LTD (CN) 2017-12-06 EP disclosed
US-20120182507-A1 OPTICAL FILM, OPTICAL COMPENSATION FILM, POLARIZING PLATE AND LIQUID CRYSTAL DISPLAY FUJIFILM CORPORATION (JP) 2012-07-19 US disclosed