SCHEMBL11463501

SCHEMBL11463501

CN(C)C(=O)Oc1cccc2c1OCCCO2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.50
MTNR1B P49286 1/20 0.44
CTNNB1 P35222 1/20 0.44
WNT3A P56704 1/20 0.44
BCHE P06276 1/20 0.43
ACHE P22303 4/20 0.42
KDM4E B2RXH2 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL11469411 0.82 ALDH1A1 (0.58) MTNR1AMTNR1BCTNNB1WNT3ABCHE
SCHEMBL10368997 0.81 MTNR1A (0.48) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL11353867 0.79 MTNR1A (0.46) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL5218968 0.74 MTNR1A (0.54) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL5405021 0.73 MTNR1A (0.52) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL5751450 0.73 CTNNB1 (0.52) MTNR1ACTNNB1WNT3AKDM4ERAB9A
SCHEMBL11467578 0.73 KDM4E (0.44) MTNR1ACTNNB1WNT3AKDM4ERAB9A
SCHEMBL16965115 0.71 RAB9A (0.60) BCHERAB9A
SCHEMBL11358917 0.71 MTNR1A (0.59) MTNR1AMTNR1BCTNNB1WNT3AKDM4E
SCHEMBL13534215 0.70 MTNR1A (0.59) MTNR1AMTNR1BCTNNB1WNT3AKDM4E

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-4234598-A INSECTICIDE, MITICIDE HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US claimed
US-4234598-A INSECTICIDE, MITICIDE HOFFMANN-LA ROCHE INC. (US) 1980-11-18 US disclosed