SCHEMBL23901078

SCHEMBL23901078

Cc1ccc2c(c1)c(C(=O)OC(C)(C)C)nn2C(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.51
F2 P00734 4/20 0.42
PLAU P00749 4/20 0.42
CTRB1 P17538 3/20 0.42
MAP2K4 P45985 1/20 0.41

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
SCHEMBL12194054 0.86 ELANE (0.49) ELANEF2PLAUCTRB1MAP2K4
SCHEMBL4300088 0.86 ELANE (0.55) ELANEF2PLAUCTRB1MAP2K4
SCHEMBL15724312 0.85 ELANE (0.44) ELANEMAP2K4
SCHEMBL9952523 0.83 MAP2K4 (0.42) ELANEF2PLAUMAP2K4
SCHEMBL13748554 0.83 MAP2K4 (0.44) ELANEMAP2K4
SCHEMBL12193518 0.82 ELANE (0.59) ELANEF2PLAUCTRB1MAP2K4
SCHEMBL22801674 0.81 MAP2K4 (0.51) ELANEMAP2K4
SCHEMBL25994222 0.81 ELANE (0.42) ELANEMAP2K4
SCHEMBL15724311 0.80 MAP2K4 (0.40) ELANEMAP2K4
SCHEMBL15312268 0.80 GABRG2 (0.41) ELANEF2PLAUCTRB1MAP2K4

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-2021197467-A1 MULTI-TARGET ANTI-TUMOR COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海华汇拓医药科技有限公司 2021-10-07 WO disclosed