SCHEMBL10757697

SCHEMBL10757697

C[C@H]1C(SCCO)=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H]([C@@H](C)O)C12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 5/20 0.42
PLCG1 P19174 1/20 0.39
HTR2A P28223 1/20 0.39
FAP Q12884 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL10757693 1.00 ELANE (0.42) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10757699 1.00 ELANE (0.42) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10759797 0.92 ELANE (0.42) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10759800 0.92 ELANE (0.42) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10759791 0.92 ELANE (0.42) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10760783 0.89 ELANE (0.39) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10760796 0.89 ELANE (0.39) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL10760791 0.89 ELANE (0.39) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL21046139 0.88 ELANE (0.41) ELANEPLCG1HTR2AFAPPOLB
SCHEMBL21046142 0.88 ELANE (0.41) ELANEPLCG1HTR2AFAPPOLB

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
US-4683301-A BACTERICIDES BRISTOL-MYERS COMPANY (US) 1987-07-28 US disclosed