SCHEMBL9457366

SCHEMBL9457366

CCCCCCCC/C=C\CCCCCCC[C@@H](CC(=O)O)OC1CCCCO1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TERT O14746 3/20 0.39
PTPN1 P18031 3/20 0.39
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
MAPT P10636 2/20 0.39
BLM P54132 2/20 0.39
HSD17B10 Q99714 2/20 0.39
FABP4 P15090 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX15 P16050 1/20 0.39
APEX1 P27695 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL9457372 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457394 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457382 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457388 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457402 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457391 1.00 FFAR1 (0.39) FFAR1FFAR4TERTPTPN1PPARG
SCHEMBL9457085 0.97 ALDH1A1 (0.42) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL9457076 0.97 ALDH1A1 (0.42) FFAR1FFAR4PPARGPPARDPPARA
SCHEMBL9457193 0.93 GPR84 (0.41) MAPTBLMGMNNLMNACYP1A2
SCHEMBL9457380 0.93 GPR84 (0.41) MAPTBLMGMNNLMNACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246960-A Used to treat obesity, hyperlipaemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1993-09-21 US disclosed
US-5175186-A Inhibits pancreas lepase and useful agent in treatment of obesity, hyperlipemia, atherosclerosis and arteriosclerosis HOFFMANN-LA ROCHE INC. (US) 1992-12-29 US disclosed
US-4931463-A PANCREAS LIPASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 1990-06-05 US disclosed