SCHEMBL22907414

SCHEMBL22907414

O=C1CCCC(=O)C(N2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.54
DDB1 Q16531 13/20 0.54
IKZF3 Q9UKT9 2/20 0.54
ALDH1A1 P00352 2/20 0.54
CHRM2 P08172 1/20 0.54
OPRM1 P35372 1/20 0.54
CYP1A2 P05177 1/20 0.54
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
TNF P01375 1/20 0.42
IL1B P01584 1/20 0.42
TBXA2R P21731 1/20 0.42
IKZF1 Q13422 1/20 0.42
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
ALOX12 P18054 1/20 0.38
MC4R P32245 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL16140772 0.86 CRBN (0.56) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL29716491 0.85 DDB1 (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL2960089 0.85 DDB1 (0.54) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22305134 0.84 DDB1 (0.62) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL23713361 0.83 DDB1 (0.60) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL17169709 0.83 CRBN (0.57) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22907124 0.83 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22907126 0.83 CRBN (0.41) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22907014 0.80 CRBN (0.59) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL22907204 0.80 CRBN (0.39) CRBNDDB1ALDH1A1CYP1A2MAPT

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed