SCHEMBL29264013

SCHEMBL29264013

O=C(O)CCCCCCCOc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.57
DDB1 Q16531 15/20 0.55
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.53
OPRM1 P35372 1/20 0.53
IKZF3 Q9UKT9 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
IKZF2 Q9UKS7 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
SCHEMBL20121004 1.00 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29264019 1.00 CRBN (0.57) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241737 0.99 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20129105 0.99 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29264031 0.96 CRBN (0.60) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21471975 0.95 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL29227672 0.93 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL31463319 0.93 CRBN (0.61) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL20128926 0.91 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL30241697 0.91 CRBN (0.58) CRBNDDB1ALDH1A1CHRM2OPRM1

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
CN-118146197-A Alkyne compound, preparation method thereof, pharmaceutical composition and application 中国药科大学 2024-06-07 CN disclosed