SCHEMBL8616626

SCHEMBL8616626

CCN(CCN)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
P2RY12 Q9H244 1/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.37
MCHR1 Q99705 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
AGER Q15109 1/20 0.36
VDR P11473 1/20 0.36
CNR2 P34972 3/20 0.35
CYP1A2 P05177 2/20 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
SCHEMBL3300843 0.87 GAA (0.45) CA12CA2CA9CA1CA3
SCHEMBL28907962 0.71 ESR1 (0.50) CA12CA2CA9CA1GAA
SCHEMBL9156246 0.71 C5AR1 (0.51) CA12CA2CA9CA1CA3
SCHEMBL1157467 0.70 GAA (0.50) CA12CA2CA9CA1CA3
SCHEMBL11785830 0.70 POLB (0.47) ALDH1A1GAACYP3A4CYP2C9CYP2C19
SCHEMBL8634136 0.69 GLA (0.56) CA12CA2CA9CA1CA3
SCHEMBL5935090 0.69 CNR2 (0.57) CA12CA2CA9CA1CA3
SCHEMBL3975259 0.69 CA1 (0.47) CA12CA2CA9CA1CA3
SCHEMBL8213964 0.68 CNR2 (0.55) CA12CA2CA9CA1CA3
SCHEMBL28239200 0.68 APP (0.40) ALDH1A1GAACYP3A4CYP2C9CYP2C19

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
EP-0558047-B1 Copolymer having amino group and process for production thereof DAI ICHI KOGYO SEIYAKU CO LTD (JP) 1998-05-20 EP disclosed
EP-0558047-A2 Copolymer having amino group and process for production thereof DAI-ICHI KOGYO SEIYAKU Co., Ltd. (JP) 1993-09-01 EP disclosed