SCHEMBL27284050

SCHEMBL27284050

CC(Cc1ccccc1)NS(=O)(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP1A2 P05177 1/20 0.71
CYP2C9 P11712 1/20 0.71
CYP2C19 P33261 1/20 0.71
SMN1; SMN2 Q16637 1/20 0.65
POLB P06746 1/20 0.55
GAA P10253 1/20 0.54
TAAR1 Q96RJ0 3/20 0.53
SIGMAR1 Q99720 3/20 0.53
SLC18A2 Q05940 1/20 0.53
MMP2 P08253 4/20 0.53
MMP9 P14780 3/20 0.53
ADAMTS4 O75173 1/20 0.53
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PIN1 Q13526 1/20 0.51

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
SCHEMBL18649869 0.90 MMP2 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11456951 0.90 ALDH1A1 (0.74) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9707094 0.89 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9707087 0.89 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765320 0.89 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5706203 0.88 ALDH1A1 (0.57) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765257 0.86 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9765301 0.86 ALDH1A1 (0.67) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24425799 0.85 ALDH1A1 (0.54) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5706228 0.83 ALDH1A1 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19SMN1; SMN2

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
CN-1011780-B PROCESS FOR PRODUCING PHENOXYACETIC ACID DERIVATIVES TANABE SEIYAKU CO (JP) 1991-02-27 CN disclosed
CN-87105501-A New phenoxyacetic acid derivative and preparation method thereof and contain its and form as the medicine of activeconstituents 1988-02-17 CN disclosed