SCHEMBL7320645

SCHEMBL7320645

COC(=O)C1C(CCCNC(=N)N)C(=O)N1S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.33
TPSAB1 Q15661 2/20 0.31
TPSD1 Q9BZJ3 2/20 0.31
TPSG1 Q9NRR2 2/20 0.31
MMP2 P08253 1/20 0.31
ANPEP P15144 1/20 0.31

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
SCHEMBL7320639 1.00 ALOX15 (0.33) ALOX15TPSAB1TPSD1TPSG1MMP2
Hydrochloric Acid SCHEMBL7319687 0.99 ALOX15 (0.32) ALOX15TPSAB1TPSD1TPSG1MMP2
Hydrochloric Acid SCHEMBL7319682 0.99 ALOX15 (0.32) ALOX15TPSAB1TPSD1TPSG1MMP2
SCHEMBL7308460 0.83 TPSAB1 (0.43) TPSAB1TPSD1TPSG1MMP2ANPEP
Hydrochloric Acid SCHEMBL7348203 0.82 TPSAB1 (0.42) TPSAB1TPSD1TPSG1MMP2ANPEP
SCHEMBL7434516 0.81 ELANE (0.47) TPSAB1TPSD1TPSG1
SCHEMBL7434508 0.81 ELANE (0.47) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7349290 0.80 ELANE (0.46) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7349279 0.80 ELANE (0.46) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7347401 0.76 TGM2 (0.42)

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