SCHEMBL8946938

SCHEMBL8946938

CCCCCCCC/C=C\CCCCCCCCC(C)[N+](C)(C)C(C)(CCCC(=O)O)C(=O)[O-].CCCCCCCCCCCCC(C(=O)[O-])(C(CCC(C)O)(CC(C)O)C(=O)O)[N+](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PPARG P37231 5/20 0.35
GPR132 Q9UNW8 1/20 0.35
TERT O14746 3/20 0.35
PTPN1 P18031 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
HSD17B10 Q99714 2/20 0.35
FABP4 P15090 2/20 0.35
TOP1 P11387 2/20 0.35
GMNN O75496 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35

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
SCHEMBL98769 0.84 PPARG (0.49) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL7885777 0.77 FFAR4 (0.47) FFAR1FFAR4PPARGPTPN1PPARD
SCHEMBL6756058 0.74 CES2 (0.34) FFAR1MAPT
SCHEMBL98889 0.74 CES2 (0.34) FFAR1MAPT
SCHEMBL7751708 0.73 FFAR1 (0.42) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL1007055 0.73 FFAR4 (0.42) FFAR1FFAR4PPARGPTPN1PPARD
SCHEMBL8558874 0.72 SLC6A5 (0.36) FFAR1FFAR4PPARGGPR132MAPT
SCHEMBL5198018 0.70 PPARG (0.54) FFAR1FFAR4PPARGTERTPTPN1
SCHEMBL3829582 0.67 CA2 (0.36)
SCHEMBL97487 0.67 CA2 (0.41) FFAR1FFAR4BLM

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-5585104-A OIL IN WATER EMULSION; CLEANING COMPOUND THE PROCTER & GAMBLE COMPANY (US) 1996-12-17 US disclosed