SCHEMBL8097054

SCHEMBL8097054

CCC(=O)OC1CCCC(Br)C1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.44
CHRM4 P08173 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
NAAA Q02083 2/20 0.41
EPHX1 P07099 2/20 0.36
HTT P42858 1/20 0.36
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
SERPINE1 P05121 1/20 0.33
CYP19A1 P11511 3/20 0.32

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
SCHEMBL28967238 0.88 NAAA (0.51) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL21765883 0.87 CHRM2 (0.50) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL3631877 0.82
SCHEMBL8101029 0.82 NAAA (0.34) NAAAHTTCYP2C19SMN1; SMN2SERPINE1
Hydrochloric Acid SCHEMBL32661951 0.81 NAAA (0.53) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL12936700 0.80 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL8101348 0.80 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL28259363 0.80 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL14547383 0.80 CHRM2 (0.45) CHRM2CHRM4CHRM1CHRM3NAAA
SCHEMBL8101355 0.79 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3EPHX1

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