SCHEMBL9235461

SCHEMBL9235461

COC(=O)CCCc1ccc(C(O)CCCCCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
PTGER2 P43116 1/20 0.49
TRPA1 O75762 1/20 0.49
HDAC1 Q13547 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
TRPV1 Q8NER1 2/20 0.47
PPARG P37231 1/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MGLL Q99685 1/20 0.45

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
SCHEMBL9233223 0.99 FAAH (0.49) FAAHPTGER2TRPA1HDAC1ADRB2
SCHEMBL10649974 0.92 PTGER2 (0.48) FAAHPTGER2ADRB2ADRB1ADRB3
SCHEMBL8894974 0.89 ADRB3 (0.49) HDAC1ADRB2ADRB1ADRB3PPARG
SCHEMBL9231232 0.88 ADRB3 (0.47) HDAC1ADRB2ADRB1ADRB3MAPT
SCHEMBL9231881 0.87 HDAC1 (0.60) HDAC1ALDH1A1MAPTRXFP1
SCHEMBL10650968 0.87 PTGER2 (0.63) FAAHPTGER2PPARG
SCHEMBL9453938 0.87 PTGER2 (0.63) FAAHPTGER2PPARG
SCHEMBL10651370 0.87 PTGER2 (0.63) FAAHPTGER2PPARG
SCHEMBL8421753 0.87 PTGER2 (0.47) FAAHPTGER2ADRB2ADRB1PPARG
SCHEMBL11375764 0.83 PPARG (0.54) PTGER2ADRB3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0663392-A1 BENZENESULFONAMIDE DERIVATIVE AND USE THEREOF HOKURIKU SEIYAKU CO., LTD. (JP) 1995-07-19 EP disclosed