SCHEMBL8101029

SCHEMBL8101029

O=C(CCl)OC1CCCC(Br)C1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
SERPINE1 P05121 1/20 0.33
CYP19A1 P11511 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL8103803 0.82
SCHEMBL8097054 0.82 CHRM2 (0.44) NAAACYP2C19HTTSERPINE1CYP19A1
SCHEMBL8098092 0.81 NAAA (0.36) NAAACYP2C19HTTSERPINE1CYP19A1
SCHEMBL28967238 0.81 NAAA (0.51) NAAACYP2C19HTTSMN1; SMN2
SCHEMBL8088741 0.79 NAAA (0.38) NAAACYP2C19HTTSERPINE1CYP19A1
SCHEMBL2310926 0.78 NAAA (0.50) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL142400 0.77 CYP2C19 (0.53) NAAACYP2C19HTTCYP19A1SMN1; SMN2
SCHEMBL8101351 0.76 SERPINE1 (0.35) SERPINE1
SCHEMBL8101355 0.76 CHRM2 (0.40) SERPINE1
SCHEMBL8101024 0.75 SERPINE1 (0.33) SERPINE1

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