SCHEMBL8859861

SCHEMBL8859861

CCCCCCCCCCCCCCCCCC(O)NC(CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 7/20 0.50
▸ FFAR1 O14842 2/20 0.50
▸ MAPT P10636 2/20 0.44
▸ LCK P06239 1/20 0.44
▸ PPARD Q03181 1/20 0.44
▸ ZDHHC20 Q5W0Z9 1/20 0.44
▸ ZDHHC2 Q9UIJ5 1/20 0.44
▸ NOD1 Q9Y239 1/20 0.43
▸ FFAR4 Q5NUL3 1/20 0.42
▸ ACE2 Q9BYF1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ RECQL P46063 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ZDHHC7 Q9NXF8 1/20 0.41

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
SCHEMBL11676314 0.86 GPR84 (0.53) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10937100 0.85 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL11378190 0.85 GPR84 (0.47) GPR84FFAR1MAPTLCKPPARD
SCHEMBL20553469 0.83 ACE2 (0.46) GPR84FFAR1MAPTLCKPPARD
SCHEMBL10708556 0.82 FFAR1 (0.53) GPR84FFAR1PPARDNOD1FFAR4
SCHEMBL19924838 0.82 NOD1 (0.45) GPR84FFAR1MAPTLCKPPARD
SCHEMBL8140501 0.82 FFAR1 (0.53) GPR84FFAR1PPARDNOD1FFAR4
SCHEMBL9510953 0.82 PLA2G2A (0.54) GPR84FFAR1MAPTLCKPPARD
SCHEMBL7536779 0.81 FFAR1 (0.51) GPR84FFAR1PPARDNOD1FFAR4
SCHEMBL3389707 0.81 SLC6A5 (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5700910-A REDUCTION; REACTION WITH AN EPOXY COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-23 — — US disclosed
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