SCHEMBL1833800

SCHEMBL1833800

CCC(C1CC(n2c(=O)[nH]c3ccccc32)CCN1C(=O)O)N(CCCOCc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ OPRM1 P35372 8/20 0.42
▸ OPRL1 P41146 3/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ CHRM1 P11229 4/20 0.41
▸ CHRM2 P08172 2/20 0.41
▸ CHRM4 P08173 2/20 0.41
▸ CHRM5 P08912 2/20 0.41
▸ CHRM3 P20309 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ PAX8 Q06710 1/20 0.40
▸ DRD2 P14416 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL3803735 0.90 OPRM1 (0.49) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1833805 0.86 BCHE (0.46) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1840394 0.84 OPRM1 (0.55) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1833748 0.83 OPRM1 (0.42) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1833680 0.81 OPRM1 (0.51) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1833973 0.81 OPRM1 (0.46) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL4682963 0.81 CHRM1 (0.51) PMP22OPRM1OPRK1CHRM1CYP2D6
SCHEMBL1833802 0.80 BCHE (0.45) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL1834830 0.79 BCHE (0.52) BCHEACHEALDH1A1KDM4EPMP22
SCHEMBL3397204 0.78 OPRM1 (0.47) BCHEACHEALDH1A1KDM4EPMP22

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
EP-2160098-B9 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2011-05-18 — — EP claimed
EP-2160098-B1 USE OF COMPOUNDS HAVING A MONOGALACTOSYLDIACYLGLYCEROL SYNTHASE INHIBITORY ACTIVITY AS HERBICIDE OR ALGAECIDE, HERBICIDE AND ALGAECIDE COMPOSITIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2010-11-10 — — EP claimed
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