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SCHEMBL9114413

SCHEMBL9114413

CCCCCCCCCCC(CC)CN(CC(O)CO)C(=O)C(CCC)CCCCCCCC.CCCCCCCCCCCCCCCCC(CCCCC)CN(CC(O)CO)C(=O)C(CCCCC)CCCCCCCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ GPR84 Q9NQS5 8/20 0.35
▸ CA2 P00918 1/20 0.35
▸ FFAR1 O14842 2/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ DUSP3 P51452 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PLA2G2C Q5R387 1/20 0.33
▸ PRSS1 P07477 1/20 0.33
▸ PRSS2 P07478 1/20 0.33
▸ PRSS3 P35030 1/20 0.33

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
SCHEMBL9150762 0.99 LMNA (0.40) LMNAALDH1A1GPR84CA2FFAR1
SCHEMBL9147303 0.93 LMNA (0.44) LMNAGPR84CA2FFAR1FFAR4
SCHEMBL9150682 0.90 LMNA (0.41) LMNAALDH1A1GPR84CA2FFAR1
SCHEMBL9116088 0.89 LMNA (0.38) LMNAALDH1A1GPR84CA2FFAR1
SCHEMBL9114408 0.84 — —
SCHEMBL9115567 0.81 LMNA (0.40) LMNAGPR84CA2FFAR1FFAR4
SCHEMBL9240241 0.80 CA2 (0.41) LMNAGPR84CA2FFAR1FFAR4
SCHEMBL2492995 0.80 FFAR4 (0.46) LMNAALDH1A1GPR84FFAR1FFAR4
SCHEMBL26552552 0.77 FFAR4 (0.46) ALDH1A1GPR84FFAR1FFAR4MEN1
SCHEMBL3965945 0.76 CA2 (0.50) ALDH1A1CA2

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
WO-1995016665-A1 SYNTHETIC CERAMIDES AND THEIR USE IN COSMETIC COMPOSITIONS UNILEVER PLC (GB) 1995-06-22 — — WO disclosed