SCHEMBL9616101

SCHEMBL9616101

C=C(C)COc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 4/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 3/20 0.56
NPSR1 Q6W5P4 1/20 0.53
ELANE P08246 2/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
GPR174 Q9BXC1 1/20 0.46
LMNA P02545 2/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP19A1 P11511 1/20 0.40
KAT6A Q92794 1/20 0.40

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
SCHEMBL8388308 0.86 GPR174 (0.51) NPSR1POLBMAPTGPR174LMNA
SCHEMBL9189031 0.84 CA12 (0.56) ALDH1A1GPR174LMNAKMT2A
SCHEMBL1794823 0.83 ALDH1A1 (0.54) PKMGAAALDH1A1NPSR1ELANE
SCHEMBL7219072 0.82 GAA (0.51) PKMGAAALDH1A1NPSR1POLB
SCHEMBL1128713 0.81 GPR174 (0.49) PKMGAAALDH1A1NPSR1POLB
SCHEMBL14704081 0.81 GPR174 (0.49) PKMGAAALDH1A1NPSR1POLB
SCHEMBL5400294 0.81 GPR174 (0.49) PKMGAAALDH1A1NPSR1POLB
Ammonia Solution, Strong SCHEMBL8370311 0.80 GPR174 (0.48) PKMGAAALDH1A1NPSR1POLB
SCHEMBL6712693 0.80 GPR174 (0.48) PKMGAAALDH1A1NPSR1POLB
SCHEMBL1129346 0.80 GPR174 (0.48) PKMGAAALDH1A1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4187683-A None JP disclosed
JP-H04187683-A DIPHENYL SULFONE DERIVATIVE AND HEAT-SENSITIVE RECORDING MATERIAL NIPPON SODA CO LTD 1992-07-06 JP disclosed