SCHEMBL38659331

SCHEMBL38659331

COC(=O)c1ccc2c(c1)OCc1cc(NC(=O)OC(C)(C)C)ccc1-2

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 11/20 0.55
AAK1 Q2M2I8 6/20 0.48
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK14 Q16539 2/20 0.42

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
SCHEMBL22271481 0.79 MAPT (0.60) MAPTHSD17B10
SCHEMBL4459885 0.79 ROCK2 (0.48) ROCK2
SCHEMBL15973065 0.78 AAK1 (0.76) ROCK2AAK1
SCHEMBL38659633 0.78 CA12 (0.42) ROCK2AAK1MAPTHSD17B10MAPK14
SCHEMBL24500038 0.77 MAPT (0.43) AAK1MAPTHSD17B10
SCHEMBL30529024 0.77 ROCK2 (0.55) ROCK2HSD17B10MAPK14
SCHEMBL20788479 0.77 ROCK2 (0.55) ROCK2HSD17B10MAPK14
SCHEMBL38657847 0.77 ROCK2 (0.52) ROCK2MAPTHSD17B10MAPK14
SCHEMBL24503081 0.77 KDM4E (0.52) ROCK2
SCHEMBL24413732 0.76 NAMPT (0.44)

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-2026098560-A2 BENZENE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2026-05-15 WO disclosed