SCHEMBL7763155

SCHEMBL7763155

COc1cc(C(=O)Oc2ccc(OC(=O)c3ccc(O)cc3)cc2)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
SLC22A6 Q4U2R8 1/20 0.58
SLC22A8 Q8TCC7 1/20 0.58
RAB9A P51151 1/20 0.58
HSD17B2 P37059 1/20 0.57
HTT P42858 1/20 0.57
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOB P27338 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 1/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
BLM P54132 1/20 0.49
MAPT P10636 1/20 0.49
CAPN1 P07384 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48

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
SCHEMBL768186 0.98 KMT2A (0.60) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL2790416 0.91 KMT2A (0.67) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL18121564 0.91 KMT2A (0.62) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL6561168 0.88 HTT (0.71) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL14996370 0.88 HSD17B2 (0.61) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL15277839 0.86 HSD17B2 (0.47) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL11583873 0.86 HTT (0.63) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL8756081 0.84 KMT2A (0.61) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL768259 0.84 HSD17B2 (0.60) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL18121567 0.84 KMT2A (0.60) KMT2AMEN1RAB9AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847432-B1 POLYMERIZABLE LIQUID-CRYSTALLINE COMPOUNDS BASF AG (DE) 2001-06-27 EP disclosed
US-6136225-A USED IN OPTICAL DISPLAY DEVICES AND IN CHOLESTERIC LIQUID-CRYSTALLINE COLORANTS, PIGMENTS BASF AKTIENGESELLSCHAFT (DE) 2000-10-24 US disclosed
EP-0847432-A2 POLYMERIZABLE LIQUID-CRYSTALLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1997000600-A2 POLYMERIZABLE LIQUID-CRYSTALLINE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1997-01-09 WO disclosed