SCHEMBL11477495

SCHEMBL11477495

NC[C@@H]1NC(=O)[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.41
CRBN Q96SW2 3/20 0.41
IKZF3 Q9UKT9 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.36
GLS O94925 1/20 0.36
IDO1 P14902 1/20 0.35
CASP3 P42574 2/20 0.34
TNF P01375 1/20 0.34
IL1B P01584 1/20 0.34
TBXA2R P21731 1/20 0.34
IKZF1 Q13422 1/20 0.34
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
GRM4 Q14833 1/20 0.33

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
SCHEMBL11477476 1.00 DDB1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL11477485 1.00 DDB1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL8843800 0.83 ALDH1A1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL9804969 0.83 DDB1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL8844240 0.83 ALDH1A1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL9804832 0.83 DDB1 (0.44) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL9805078 0.83 DDB1 (0.41) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL10807051 0.81 ALDH1A1 (0.39) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL10806458 0.81 ALDH1A1 (0.39) DDB1CRBNIKZF3ALDH1A1CHRM2
SCHEMBL9804978 0.79 ALDH1A1 (0.35) DDB1CRBNIKZF3ALDH1A1CHRM2

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-4200572-A Substituted azetidinones SMITHKLINE CORPORATION (US) 1980-04-29 US claimed
US-4200572-A Substituted azetidinones SMITHKLINE CORPORATION (US) 1980-04-29 US disclosed