SCHEMBL17301256

SCHEMBL17301256

CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(OC)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.56
MAPT P10636 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MGLL Q99685 1/20 0.47
MEN1 O00255 2/20 0.47
CYP3A4 P08684 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMPD1 P17405 1/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46
NPC1 O15118 1/20 0.46
LMNA P02545 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
SCHEMBL17301252 0.92 KMT2A (0.58) KMT2AMAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL17301262 0.88 KMT2A (0.62) KMT2AMAPTSMN1; SMN2MEN1CYP3A4
SCHEMBL11562805 0.85 MAPT (0.47) KMT2AMAPTSMN1; SMN2MGLL
SCHEMBL13223146 0.85 SMN1; SMN2 (0.56) KMT2AMAPTSMN1; SMN2MEN1L3MBTL1
SCHEMBL11821586 0.85 SMN1; SMN2 (0.56) KMT2AMAPTSMN1; SMN2MEN1L3MBTL1
SCHEMBL7951967 0.84 THRB (0.58) KMT2AMAPTSMN1; SMN2CYP3A4NPC1
SCHEMBL778221 0.84 THRB (0.58) KMT2AMAPTSMN1; SMN2CYP3A4NPC1
SCHEMBL5665942 0.84 THRB (0.58) KMT2AMAPTSMN1; SMN2CYP3A4NPC1
SCHEMBL7210214 0.84 THRB (0.58) KMT2AMAPTSMN1; SMN2CYP3A4NPC1
SCHEMBL17301237 0.84 MAPT (0.47) KMT2AMAPTSMN1; SMN2NPC1

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