SCHEMBL21362722

SCHEMBL21362722

CCC(CCc1ccc(C(=O)c2ccc(F)cc2)c(B2OC(C)(C)C(C)(C)O2)c1)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 5/20 0.36
DPP4 P27487 1/20 0.33
THRB P10828 1/20 0.32
LIPG Q9Y5X9 3/20 0.32
LPL P06858 2/20 0.32
MAPT P10636 3/20 0.32
PRNP P04156 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
UCHL1 P09936 1/20 0.31

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
SCHEMBL21362596 0.84 LPL (0.42) CXCR2LIPGLPLALDH1A1LMNA
SCHEMBL20157831 0.81 CXCR2 (0.40) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157880 0.81 CXCR2 (0.36) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157420 0.79 CXCR2 (0.36) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157565 0.79 LMNA (0.43) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157558 0.78 CXCR2 (0.37) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157904 0.78 CXCR2 (0.35) CXCR2THRBLIPGLPLMAPT
SCHEMBL21362081 0.77 CXCR2 (0.38) CXCR2THRBLIPGLPLMAPT
SCHEMBL21362027 0.76 CXCR2 (0.35) CXCR2THRBLIPGLPLMAPT
SCHEMBL20157902 0.75 CXCR2 (0.41) CXCR2THRBLIPGLPLMAPT

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
EP-3539960-A1 NITROGENOUS MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF Luoxin Pharmaceutical (Shanghai) Co., Ltd. (CN) 2019-09-18 EP disclosed