SCHEMBL7980866

SCHEMBL7980866

CC(Cc1cccnn1)SC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H]([C@@H](C)O)[C@H]2[C@H]1C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ELANE P08246 6/20 0.37
PLCG1 P19174 1/20 0.36
FAP Q12884 1/20 0.35
HTT P42858 1/20 0.33
HTR2A P28223 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL10690708 0.81 L3MBTL1 (0.42) L3MBTL1ELANEPLCG1FAPRAB9A
SCHEMBL7969446 0.81 ESR1 (0.44) ELANEFAP
SCHEMBL7979469 0.81 ESR1 (0.44) ELANEFAP
SCHEMBL9216219 0.81 ELANE (0.46) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL10612514 0.81 ELANE (0.46) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL9216222 0.81 ELANE (0.46) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL9026059 0.79 ELANE (0.39) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL10757697 0.79 ELANE (0.42) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL10757699 0.79 ELANE (0.42) L3MBTL1ELANEPLCG1FAPHTT
SCHEMBL10757693 0.79 ELANE (0.42) L3MBTL1ELANEPLCG1FAPHTT

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-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed