SCHEMBL28292699

SCHEMBL28292699

CCCC(C(=O)O)N(C(N)=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TP53 P04637 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5 P09917 1/20 0.40
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
GRIK1 P39086 1/20 0.39
SLC1A3 P43003 1/20 0.39
SLC1A2 P43004 1/20 0.39
SLC1A1 P43005 1/20 0.39
GRIK2 Q13002 1/20 0.39
POLB P06746 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 2/20 0.38
HRH1 P35367 2/20 0.38
CHRM1 P11229 1/20 0.38
AKR1A1 P14550 1/20 0.38
CHRM3 P20309 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
SCHEMBL28294340 0.84 KMT2A (0.40) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL28294332 0.83 ALDH1A1 (0.39) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL3276914 0.81 ALDH1A1 (0.41) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL9139100 0.80 PRSS1 (0.39) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL22588881 0.79 ALPI (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL22588878 0.79 ALPI (0.49) ALDH1A1SLC1A3SLC1A2SLC1A1MAPT
SCHEMBL27582657 0.78 ALDH1A1 (0.40) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL757884 0.78 TP53 (0.48) ALDH1A1TP53LMNASMN1; SMN2TSHR
SCHEMBL379646 0.77 ALDH1A1 (0.43) ALDH1A1TP53LMNASMN1; SMN2ALOX5
SCHEMBL6535237 0.76 SMN1; SMN2 (0.41) ALDH1A1TP53LMNASMN1; SMN2TSHR

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-108025574-B Thermal recording medium 三光株式会社 2019-04-16 CN disclosed