SCHEMBL38658331

SCHEMBL38658331

Cc1cc(I)ccc1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.44
GABRB3 P28472 4/20 0.44
GABRA5 P31644 3/20 0.44
GABRA1 P14867 3/20 0.44
GABRA3 P34903 3/20 0.44
GABRA2 P47869 3/20 0.44
GABRA6 Q16445 1/20 0.39
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
EGFR P00533 1/20 0.35
AR P10275 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 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
SCHEMBL31757283 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL5619767 0.86 GABRG2 (0.47) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL27297567 0.83 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12301378 0.82 KMT2A (0.44) CYP2C9CYP2C19NPSR1CISD2
SCHEMBL22982350 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL17185583 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL14329237 0.81 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL16138865 0.81 GABRA1 (0.46) GABRG2GABRB3GABRA5GABRA1GABRA3
SCHEMBL12458913 0.81 EGFR (0.39) GABRG2GABRB3GABRA1GABRA3GABRA2
SCHEMBL25143250 0.81 EGFR (0.48) GABRG2GABRB3GABRA5GABRA1GABRA3

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