SCHEMBL8825580

SCHEMBL8825580

C=CCOc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
HTT P42858 1/20 0.50
CHRNB2 P17787 4/20 0.48
CHRNB4 P30926 4/20 0.48
CHRNA3 P32297 4/20 0.48
CHRNA4 P43681 4/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 1/20 0.46
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NR4A2 P43354 1/20 0.44

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
SCHEMBL8026374 0.92 NPC1 (0.52) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL7619158 0.92 NPC1 (0.52) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL8861911 0.88 ADRB2 (0.47) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL9446934 0.86 ADRB2 (0.48) KMT2ASMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL7776919 0.86 PARP10 (0.57) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL8861912 0.86 ALDH1A1 (0.56) KMT2ASMN1; SMN2HTTCHRNB2CHRNB4
SCHEMBL7626930 0.86 ADRB2 (0.48) KMT2ASMN1; SMN2CHRNB2CHRNB4CHRNA3
SCHEMBL5729777 0.86 PARP10 (0.53) KMT2ASMN1; SMN2MEN1CHRNB2CHRNB4
SCHEMBL6883338 0.86 HPGD (0.54) SMN1; SMN2HTTCHRNB2CHRNB4CHRNA3
SCHEMBL9253145 0.85 ALDH1A1 (0.52) KMT2ASMN1; SMN2MEN1HTTMAPT

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-5641850-A HYDROSILATION OF A HYDRIDOPOLYSILOXANE BY AN ALKENE CONTAINING MESOGENIC GROUPS FOLLOWED BY REACTION WITH AN ALKENE CONTAINING A (METH)ACRYLOXY GROUP; CROSSLINKING; HAZE-FREE FILMS CONSORTIUM FUR ELECTROCHEMISCHE INDUSTRIE GMBH (DE) 1997-06-24 US disclosed
US-5454974-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1995-10-03 US disclosed
US-5302317-A Halobenzene liquid crystals HOFFMANN-LA ROCHE INC. (US) 1994-04-12 US disclosed
US-5230826-A HALOBENZENE LIQUID CRYSTALS HOFFMANN-LA ROCHE INC. (US) 1993-07-27 US disclosed
US-5013477-A Alkenylbicyclohexane liquid crystals HOFFMANN-LA ROCHE INC. (US) 1991-05-07 US disclosed