SCHEMBL7308460

SCHEMBL7308460

COC(=O)[C@@H]1[C@@H](CCCNC(=N)N)C(=O)N1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
MMP2 P08253 2/20 0.40
POLB P06746 1/20 0.40
ANPEP P15144 1/20 0.40
GAA P10253 2/20 0.38
FOLH1 Q04609 1/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
ITGB3 P05106 2/20 0.36
ITGA2B P08514 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 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
Hydrochloric Acid SCHEMBL7348203 0.99 TPSAB1 (0.42) TPSAB1TPSD1TPSG1MMP2POLB
SCHEMBL7320639 0.83 ALOX15 (0.33) TPSAB1TPSD1TPSG1MMP2ANPEP
SCHEMBL7320645 0.83 ALOX15 (0.33) TPSAB1TPSD1TPSG1MMP2ANPEP
Hydrochloric Acid SCHEMBL7319687 0.82 ALOX15 (0.32) TPSAB1TPSD1TPSG1MMP2ANPEP
Hydrochloric Acid SCHEMBL7319682 0.82 ALOX15 (0.32) TPSAB1TPSD1TPSG1MMP2ANPEP
Hydrochloric Acid SCHEMBL7347401 0.77 TGM2 (0.42) KMT2A
SCHEMBL7311564 0.75 FOLH1 (0.43) TPSAB1TPSD1TPSG1MMP2POLB
SCHEMBL7311558 0.75 FOLH1 (0.43) TPSAB1TPSD1TPSG1MMP2POLB
SCHEMBL7317256 0.75 TGM2 (0.43) KMT2A
Hydrochloric Acid SCHEMBL7318865 0.74 TGM2 (0.43) KMT2A

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-5110812-A Treatment of pancreatitis; anticoagulants BRISTOL-MYERS SQUIBB CO. (US) 1992-05-05 US claimed