SCHEMBL8913713

SCHEMBL8913713

C=CCCc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.49
MEN1 O00255 4/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 4/20 0.47
HTT P42858 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 2/20 0.43
ALOX15 P16050 1/20 0.43
NR4A2 P43354 1/20 0.42
PARP10 Q53GL7 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.41

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
SCHEMBL9303442 1.00 KMT2A (0.49) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL18540053 0.93 THRB (0.49) KMT2ASMN1; SMN2MAPTALDH1A1THRB
SCHEMBL9303397 0.92 KMT2A (0.47) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL18540075 0.91 THRB (0.47) KMT2ASMN1; SMN2MAPTALDH1A1THRB
SCHEMBL9303608 0.91 THRB (0.47) KMT2AMEN1SMN1; SMN2MAPTHTT
SCHEMBL18540255 0.88 THRB (0.45) KMT2ASMN1; SMN2MAPTALDH1A1THRB
SCHEMBL8913018 0.86 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MAPTKDM4E
SCHEMBL8913348 0.86 THRB (0.61) KMT2ASMN1; SMN2MAPTTHRBPARP10
SCHEMBL18540038 0.86 THRB (0.43) KMT2AMEN1SMN1; SMN2MAPTALDH1A1
SCHEMBL9302751 0.86 KMT2A (0.56) KMT2AMEN1SMN1; SMN2MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35462-E Silylated benzoic acid derivatives CONSORTIUM FUR ELEKOCHEMISCHE IND. GMBH (DE) 1997-02-25 US disclosed
US-5304667-A Cyclosiloxanes containing mesogenic side groups CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-04-19 US disclosed
US-5277838-A Silylated benzoic acid derivatives CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1994-01-11 US disclosed
US-5221759-A CYCLOSILOXANES CONTAINING MESOGENIC SIDE GROUPS CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1993-06-22 US disclosed
US-5106530-A Liquid crystals Consortium Fur Elektrochemische Ind. (DE) 1992-04-21 US disclosed