SCHEMBL7768455

SCHEMBL7768455

Cc1cc(C(=O)c2ccc(O)cc2)ccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
SMN1; SMN2 Q16637 2/20 0.75
TDP1 Q9NUW8 3/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 5/20 0.60
LMNA P02545 4/20 0.60
HPGD P15428 3/20 0.60
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
PKM P14618 1/20 0.60
SRD5A2 P31213 1/20 0.52
ALDH1A1 P00352 5/20 0.50
MAPK1 P28482 2/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP3A4 P08684 1/20 0.50
RECQL P46063 1/20 0.50
HSD17B10 Q99714 1/20 0.50
LIG1 P18858 1/20 0.50
MEN1 O00255 4/20 0.49

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
SCHEMBL1758224 0.90 HTT (0.60) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL30355061 0.90 HTT (0.60) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL9544691 0.86 HTT (0.56) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL1758781 0.84 HTT (0.75) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL12337417 0.84 ALDH1A1 (0.61) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL10420722 0.84 CA1 (0.61) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL10421109 0.84 HTT (0.64) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL10775755 0.83 MAPK1 (0.60) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL9012657 0.82 HTT (0.71) HTTSMN1; SMN2TDP1POLBL3MBTL1
SCHEMBL31574447 0.81 HTT (0.70) HTTSMN1; SMN2TDP1POLBL3MBTL1

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 3 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
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