SCHEMBL17301259

SCHEMBL17301259

COc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C)cc3)cc2OC)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.69
MAPT P10636 3/20 0.55
TP53 P04637 3/20 0.54
GAA P10253 2/20 0.54
THRB P10828 1/20 0.54
ALDH1A1 P00352 1/20 0.53
HAVCR2 Q8TDQ0 1/20 0.52
MEN1 O00255 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 2/20 0.51
LMNA P02545 2/20 0.51
AHR P35869 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 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
SCHEMBL17301260 0.97 KMT2A (0.64) KMT2AMAPTTP53GAATHRB
SCHEMBL17304613 0.94 KMT2A (0.77) KMT2AMAPTTP53GAATHRB
SCHEMBL31321687 0.91 KMT2A (0.73) KMT2AMAPTTP53GAATHRB
SCHEMBL17933786 0.89 KMT2A (0.69) KMT2AMAPTALDH1A1CYP2C9CYP2C19
SCHEMBL28518633 0.89 KMT2A (0.69) KMT2AMAPTTP53GAAALDH1A1
SCHEMBL14407750 0.88 KMT2A (0.57) KMT2AMAPTTP53GAAALDH1A1
SCHEMBL17301253 0.88 TP53 (0.55) KMT2AMAPTTP53THRBHAVCR2
SCHEMBL31321614 0.86 MAPT (0.63) KMT2AMAPTALDH1A1HAVCR2
SCHEMBL17301236 0.86 KMT2A (0.55) KMT2AMAPTTP53ALDH1A1MEN1
SCHEMBL10039541 0.85 KMT2A (0.64) KMT2AMAPTGAAALDH1A1MEN1

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-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
US-9005906-B2 Tetrahydropyran nucleic acid analogs ISIS PHARMACEUTICALS, INC. (US) 2015-04-14 US disclosed