SCHEMBL24200372

SCHEMBL24200372

CCCC(CC)CCc1cccc(C)c1-c1c(C)cccc1NC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ HTT P42858 2/20 0.32
▸ NLRP3 Q96P20 1/20 0.32
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ITGB1 P05556 1/20 0.31
▸ ITGA4 P13612 1/20 0.31
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30

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
SCHEMBL20436317 0.75 CRHR1 (0.37) LMNAALDH1A1HTTNLRP3MAPT
SCHEMBL20436310 0.74 NLRP3 (0.36) LMNAALDH1A1HTTNLRP3MAPT
SCHEMBL24200370 0.73 PARP14 (0.44) LMNAALDH1A1HTTMAPTTHRB
SCHEMBL20436314 0.73 ITGB1 (0.37) LMNAALDH1A1HTTNLRP3MAPT
SCHEMBL4403976 0.72 ITGB1 (0.55) ALDH1A1HTTMAPTL3MBTL1ITGB1
SCHEMBL20436323 0.70 MAPT (0.49) LMNAALDH1A1MAPTL3MBTL1
SCHEMBL20458582 0.70 CHRM3 (0.35) LMNAALDH1A1MAPTTHRBL3MBTL1
SCHEMBL20436324 0.69 ALDH1A1 (0.47) LMNAALDH1A1MAPTL3MBTL1KDM4E
SCHEMBL24404997 0.66 MAPT (0.32) LMNAALDH1A1NLRP3MAPTL3MBTL1
SCHEMBL30613917 0.64 NR3C1 (0.36) LMNAMAPT

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
EP-3358346-B1 ENANTIOMER ANALYSIS METHOD AJINOMOTO KK (JP) 2022-01-19 — — EP disclosed
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