SCHEMBL7036831

SCHEMBL7036831

CCN(CC)c1cccc(S(=O)(=O)CCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
HSD11B1 P28845 1/20 0.41
CNR2 P34972 9/20 0.40
CNR1 P21554 7/20 0.40
TSHR P16473 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.38
GRK2 P25098 1/20 0.38
DNMT1 P26358 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
RORC P51449 1/20 0.36
PSIP1 O75475 1/20 0.36
KMT2A Q03164 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KCNA5 P22460 1/20 0.35
TERT O14746 1/20 0.35

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
SCHEMBL7033084 0.84 ALDH1A1 (0.50) ALDH1A1CYP3A4HSD11B1CNR2CNR1
SCHEMBL7026797 0.83 CA12 (0.48) ALDH1A1TSHRSMN1; SMN2PSIP1KMT2A
SCHEMBL7030066 0.82 ALDH1A1 (0.36) ALDH1A1HSD11B1TSHRSMN1; SMN2RORC
SCHEMBL55285 0.80 CA1 (0.44) ALDH1A1CYP3A4HSD11B1TSHRSMN1; SMN2
SCHEMBL5945169 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4HSD11B1CNR2CNR1
SCHEMBL30302484 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD11B1CNR2CNR1
SCHEMBL6854169 0.78 ALDH1A1 (0.55) ALDH1A1CYP3A4HSD11B1CNR2CNR1
SCHEMBL8773481 0.77 ALDH1A1 (0.53) ALDH1A1CYP3A4HSD11B1CNR2CNR1
SCHEMBL11526370 0.77 RAB9A (0.53) ALDH1A1CYP3A4CNR2CNR1TSHR
SCHEMBL6571778 0.77 ALDH1A1 (0.49) ALDH1A1CYP3A4HSD11B1CNR2CNR1

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-0841323-B1 Method for producing arylvinylsulfone SUMITOMO CHEMICAL CO (JP) 2003-03-05 EP disclosed
US-5902905-A Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-05-11 US disclosed
EP-0841323-A2 Method for producing arylvinylsulfone SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-05-13 EP disclosed