SCHEMBL22100185

SCHEMBL22100185

CSCC[C@H](NC(=O)CCC(C)C)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.43
FNTA P49354 5/20 0.42
FNTB P49356 5/20 0.42
PGGT1B P53609 1/20 0.42
CYP2C9 P11712 1/20 0.40
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL5159353 0.85 FNTA (0.53) NOD1FNTAFNTBPGGT1BALDH1A1
SCHEMBL15186080 0.85 FNTA (0.43) NOD1FNTAFNTBPGGT1BCYP2C9
SCHEMBL11112082 0.84 FNTA (0.48) NOD1FNTAFNTBPGGT1BCYP2C9
SCHEMBL10700777 0.83 CYP2C9 (0.58) CYP2C9CA12CA9TSHRALDH1A1
SCHEMBL21587882 0.80 NOD1 (0.52) NOD1FNTAFNTBPGGT1BCA12
SCHEMBL5200067 0.80 NOD1 (0.52) NOD1FNTAFNTBPGGT1BCA12
SCHEMBL5200064 0.80 NOD1 (0.52) NOD1FNTAFNTBPGGT1BCA12
SCHEMBL23652090 0.80 NMT2 (0.44) NOD1ALDH1A1
SCHEMBL18862268 0.80 NOD1 (0.43) NOD1CA12CA9ALDH1A1FOLH1
SCHEMBL20385911 0.80 NOD1 (0.43) NOD1CA12CA9ALDH1A1FOLH1

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-20200188603-A1 Multiple Dosage Injector with Rack and Pinion Dosage System ANTARES PHARMA, INC. (US) 2020-06-18 US disclosed