SCHEMBL31372136

SCHEMBL31372136

COc1ccc2c(c1)OC(=O)CC21CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA9 Q16790 2/20 0.43
ALDH1A1 P00352 5/20 0.43
PDE7A Q13946 2/20 0.43
CA2 P00918 2/20 0.40
CA5A P35218 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL31371954 0.97 CA12 (0.43) CA12CA9ALDH1A1PDE7ACA2
SCHEMBL4640526 0.81 CA12 (0.46) CA12CA9ALDH1A1CA2CA5A
SCHEMBL31371933 0.75 CA2 (0.40) PDE7ACA2CA5AGRIN1GRIN2A
SCHEMBL8596234 0.75 GRIN1 (0.46) CA9ALDH1A1PDE7ACA2GRIN1
SCHEMBL28652094 0.73 PPIB (0.42) CA12CA9ALDH1A1CA2CA5A
SCHEMBL31691254 0.73 S1PR5 (0.42) ALDH1A1MAPTKDM4E
SCHEMBL31525804 0.73 CA2 (0.41) CA12CA9ALDH1A1PDE7ACA2
SCHEMBL31372096 0.72 DRD2 (0.39) PDE7ACA2CA5AMAPTKDM4E
SCHEMBL7819167 0.71 CYP19A1 (0.46) CA12CA9ALDH1A1CA2MAPT
SCHEMBL31525565 0.70 CA12 (0.54) CA12CA9ALDH1A1CA2CA5A

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
WO-2025036382-A1 SULFONAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海复宏汉霖生物医药有限公司 2025-02-20 WO disclosed