SCHEMBL17529428

SCHEMBL17529428

C=Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 18/20 0.66
WNT3A P56704 17/20 0.66
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL15988837 0.83 CTNNB1 (0.86) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15980223 0.83 CTNNB1 (0.69) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15980224 0.83 CTNNB1 (0.86) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15980225 0.81 CTNNB1 (0.87) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15980227 0.81 CTNNB1 (0.68) CTNNB1WNT3ANPC1RAB9AKDM4E
SCHEMBL15969774 0.80 CTNNB1 (1.00) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15979891 0.77 CTNNB1 (0.85) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15969449 0.76 CTNNB1 (1.00) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL30440999 0.76 CTNNB1 (1.00) CTNNB1WNT3ANPC1RAB9ASMN1; SMN2
SCHEMBL15969109 0.76 CTNNB1 (0.74) CTNNB1WNT3ARAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029021-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED, LLC (US) 2016-02-25 WO disclosed