SCHEMBL8101351

SCHEMBL8101351

[CH2]C(=O)OC1CCCC(Br)C1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
PRSS1 P07477 1/20 0.30
TPSAB1 Q15661 1/20 0.30
TPSD1 Q9BZJ3 1/20 0.30
TPSG1 Q9NRR2 1/20 0.30
PARP10 Q53GL7 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
SCHEMBL4678776 0.80
SCHEMBL8101355 0.80 CHRM2 (0.40) SERPINE1
SCHEMBL8101130 0.78 SERPINE1 (0.36) SERPINE1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL8097489 0.76 SERPINE1 (0.35) SERPINE1PRSS1TPSAB1TPSD1TPSG1
SCHEMBL8101029 0.76 NAAA (0.34) SERPINE1
SCHEMBL8097050 0.76 SERPINE1 (0.33) SERPINE1
SCHEMBL8101024 0.76 SERPINE1 (0.33) SERPINE1
SCHEMBL3676255 0.76 CYP19A1 (0.36) SERPINE1
SCHEMBL8097054 0.76 CHRM2 (0.44) SERPINE1
SCHEMBL4181540 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6114286-A HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-09-05 US disclosed
EP-0947516-A1 N-benzyl substituted, heterocyclic ring-fused pyrimidinone derivatives, their preparation and their use as herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-10-06 EP disclosed