SCHEMBL7434508

SCHEMBL7434508

COC(=O)[C@@H]1[C@@H](CCCNC(=N)N)C(=O)N1C(C)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.47
TPSAB1 Q15661 9/20 0.36
TPSD1 Q9BZJ3 9/20 0.36
TPSG1 Q9NRR2 9/20 0.36
PLAU P00749 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30

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
SCHEMBL7434516 1.00 ELANE (0.47) ELANETPSAB1TPSD1TPSG1PLAU
Hydrochloric Acid SCHEMBL7349290 0.99 ELANE (0.46) ELANETPSAB1TPSD1TPSG1PLAU
Hydrochloric Acid SCHEMBL7349279 0.99 ELANE (0.46) ELANETPSAB1TPSD1TPSG1PLAU
SCHEMBL7443391 0.87 ELANE (0.49) ELANETPSAB1TPSD1TPSG1PLAU
Hydrochloric Acid SCHEMBL7320686 0.86 ELANE (0.48) ELANETPSAB1TPSD1TPSG1PLAU
SCHEMBL7432344 0.82 ELANE (0.47) ELANETPSAB1TPSD1TPSG1PLAU
Hydrochloric Acid SCHEMBL7320024 0.81 ELANE (0.46) ELANETPSAB1TPSD1TPSG1PLAU
SCHEMBL7320639 0.81 ALOX15 (0.33) TPSAB1TPSD1TPSG1
SCHEMBL7320645 0.81 ALOX15 (0.33) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL7355532 0.81 TPSAB1 (0.54) ELANETPSAB1TPSD1TPSG1

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-5037819-A Anticoagulant; treating pancreatitis BRISTOL-MYERS SQUIBB COMPANY (US) 1991-08-06 US claimed