SCHEMBL10782840

SCHEMBL10782840

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=S)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.55
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
GLA P06280 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA12 O43570 1/20 0.48
CA9 Q16790 1/20 0.48
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
KMT2A Q03164 1/20 0.47
CTNNB1 P35222 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL27182629 1.00 SSTR3 (0.55) SSTR3ALDH1A1LMNAGLACA1
SCHEMBL27183243 0.90 SSTR3 (0.61) SSTR3ALDH1A1CA1CA2CA12
SCHEMBL10883914 0.84 ALDH1A1 (0.50) ALDH1A1LMNAGLACA1CA2
SCHEMBL27183402 0.83 ALDH1A1 (0.56) ALDH1A1LMNAGLAMAPTHTT
SCHEMBL10583554 0.80 KMT2A (0.50) ALDH1A1LMNAGLACA1CA2
SCHEMBL8214162 0.80 FPR2 (0.58) SSTR3
SCHEMBL20335018 0.80 ALDH1A1 (0.68) ALDH1A1LMNAGLACA1CA2
SCHEMBL20335019 0.80 ALDH1A1 (0.68) ALDH1A1LMNAGLACA1CA2
SCHEMBL10585130 0.80 ALDH1A1 (0.50) ALDH1A1LMNAGLAMEN1KMT2A
SCHEMBL4359032 0.79 SSTR3 (0.57) SSTR3ALDH1A1LMNACA2MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4645678-A FOR FOOD OR PHARMACEUTICAL PRODUCTS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1987-02-24 US disclosed
EP-0107597-B1 CHEMICAL COMPOUNDS AND THEIR USE AS SWEETENING AGENTS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1986-02-26 EP disclosed
EP-0107597-A1 Chemical compounds and their use as sweetening agents UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1984-05-02 EP disclosed