SCHEMBL28333418

SCHEMBL28333418

CCCCC(CC)Cc1cccc(C(N)=O)c1CC(CC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ LMNA P02545 4/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ RPS6KB1 P23443 1/20 0.40
▸ TSHR P16473 3/20 0.40
▸ HTT P42858 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ NR1I2 O75469 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ ADRA2A P08913 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ HTR2B P41595 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6684611 0.92 ALDH1A1 (0.51) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL29672612 0.88 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL7165074 0.88 ALDH1A1 (0.48) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL28542890 0.86 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL6684614 0.86 ALDH1A1 (0.47) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL7936735 0.84 ALDH1A1 (0.51) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL22289762 0.82 ALDH1A1 (0.41) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL2066167 0.79 LMNA (0.45) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL411185 0.79 ALDH1A1 (0.39) ALDH1A1CA2CYP3A4LMNAPRSS1
SCHEMBL28242836 0.79 ALDH1A1 (0.42) ALDH1A1CA2CYP3A4LMNAPRSS1

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-110536936-A Surface-active adjuvant RHODIA OPERATIONS 2019-12-03 — — CN disclosed
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