SCHEMBL8097489

SCHEMBL8097489

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.35
EPHX1 P07099 2/20 0.33
TPSAB1 Q15661 3/20 0.31
TPSD1 Q9BZJ3 3/20 0.31
TPSG1 Q9NRR2 3/20 0.31
PRSS1 P07477 1/20 0.30
PARP10 Q53GL7 1/20 0.30
NAAA Q02083 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
SCHEMBL8097490 0.82 CHRM2 (0.41) SERPINE1EPHX1NAAA
SCHEMBL4678776 0.80
SCHEMBL30634110 0.80 ATM (0.36) SERPINE1EPHX1TPSAB1TPSD1TPSG1
SCHEMBL8101130 0.78 SERPINE1 (0.36) SERPINE1EPHX1TPSAB1TPSD1TPSG1
SCHEMBL8101351 0.76 SERPINE1 (0.35) SERPINE1TPSAB1TPSD1TPSG1PRSS1
SCHEMBL8088741 0.76 NAAA (0.38) SERPINE1EPHX1NAAA
SCHEMBL8088737 0.76 SERPINE1 (0.33) SERPINE1EPHX1
SCHEMBL8101066 0.76 NAAA (0.45) SERPINE1EPHX1NAAA
SCHEMBL8101063 0.76 SERPINE1 (0.33) SERPINE1EPHX1NAAA
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