SCHEMBL24435696

SCHEMBL24435696

COCn1c(=O)n(CCCC2CO2)c(=O)n(CCCC2CO2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HBB P68871 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.36
ADORA2B P29275 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31

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
SCHEMBL24435697 0.90 TP53 (0.44) TP53HBBSMN1; SMN2ALDH1A1ADORA2B
SCHEMBL8580238 0.86 TP53 (0.54) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL21991221 0.86 TP53 (0.54) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL21026336 0.86 TP53 (0.54) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL25515626 0.85 SMN1; SMN2 (0.40) TP53HBBSMN1; SMN2ALDH1A1ADORA2B
SCHEMBL12047488 0.82 TP53 (0.47) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL24855261 0.82 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL17153972 0.82 TP53 (0.50) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL18500837 0.81 ALDH1A1 (0.53) TP53HBBSMN1; SMN2ALDH1A1
SCHEMBL8577891 0.80 TP53 (0.52) TP53HBBSMN1; SMN2ALDH1A1CASP3

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
US-20220153920-A1 METHOD FOR PRODUCING POLYMER NISSAN CHEMICAL CORPORATION (JP) 2022-05-19 US disclosed