SCHEMBL3717342

SCHEMBL3717342

CCCCCC(CCC)CCCCC(O)=S

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
FFAR4 Q5NUL3 2/20 0.41
FFAR1 O14842 2/20 0.41
CES2 O00748 4/20 0.39
CES1 P23141 4/20 0.39
AKR1B1 P15121 1/20 0.38
CA2 P00918 1/20 0.37
PPARG P37231 6/20 0.37
PPARD Q03181 6/20 0.37
PPARA Q07869 6/20 0.37
GPR84 Q9NQS5 5/20 0.37
HDAC11 Q96DB2 5/20 0.37
TSHR P16473 4/20 0.37
ALDH1A1 P00352 2/20 0.37
TLR2 O60603 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 2/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
SLC22A8 Q8TCC7 1/20 0.37

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
SCHEMBL8859475 0.94 LMNA (0.43) LMNAFFAR4FFAR1CES2CES1
SCHEMBL8859573 0.94 LMNA (0.46) LMNAFFAR4FFAR1CES2CES1
SCHEMBL15135076 0.89 CA2 (0.42) LMNACES2CES1CA2HDAC11
SCHEMBL15135067 0.89 CA2 (0.36) LMNACA2HDAC11TSHRALDH1A1
SCHEMBL7754824 0.88 LMNA (0.50) LMNAFFAR4FFAR1CA2PPARD
SCHEMBL8757657 0.86 LMNA (0.41) LMNAFFAR4FFAR1CES2CES1
SCHEMBL8756867 0.85 LMNA (0.44) LMNAFFAR4FFAR1CES2CES1
SCHEMBL713127 0.82
SCHEMBL7756664 0.82 CA2 (0.48) LMNAFFAR4FFAR1CA2PPARD
SCHEMBL8859572 0.82 CA2 (0.53) LMNAFFAR4FFAR1CES2CES1

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-2010110771-A2 SUBSTITUTED THIOL-CONTAINING ALKYL FATTY ACIDS AND PROCESS FOR SYNTHESIZING DERIVATIVES THEREOF GIBSON FRANK (US) 2010-09-30 WO disclosed