SCHEMBL10937100

SCHEMBL10937100

CCCCCCCCCCC(CCCCC)N[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.47
▸ FFAR1 O14842 2/20 0.47
▸ MAPT P10636 2/20 0.46
▸ LCK P06239 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ ZDHHC20 Q5W0Z9 1/20 0.46
▸ ZDHHC2 Q9UIJ5 1/20 0.46
▸ NOD1 Q9Y239 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PLA2G2C Q5R387 1/20 0.41
▸ GRIK1 P39086 1/20 0.40

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
SCHEMBL11378190 1.00 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL20553469 0.85 ACE2 (0.46) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8859861 0.85 GPR84 (0.50) GPR84FFAR1MAPTLCKPPARD
SCHEMBL27000032 0.84 GPR84 (0.48) GPR84FFAR1MAPTLCKPPARD
SCHEMBL19924838 0.83 NOD1 (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7651250 0.80 GPR84 (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11220090 0.77 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL17024089 0.77 GPR84 (0.57) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11351874 0.77 ACE (0.44) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11351867 0.77 ACE (0.44) GPR84FFAR1MAPTLCKPPARD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4593043-A Mercapto acyl-carnitines and pharmaceutical compositions containing same SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1986-06-03 — — US disclosed
US-4510318-A DETOXIFICATION; BURN INJURIES; MUCOLYTIC AGENTS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1985-04-09 — — US disclosed
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