SCHEMBL2171346

SCHEMBL2171346

NC(=O)CCCCc1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.48
EPHX2 P34913 2/20 0.48
FFAR1 O14842 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MPO P05164 1/20 0.46
MAOB P27338 1/20 0.45
PARP10 Q53GL7 1/20 0.45
NAAA Q02083 1/20 0.45
FFAR4 Q5NUL3 2/20 0.43
LMNA P02545 1/20 0.42
SCN4A P35499 1/20 0.42
SCN9A Q15858 1/20 0.42

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
SCHEMBL18966171 0.98 LTA4H (0.47) LTA4HEPHX2FFAR1PPARGPPARA
SCHEMBL2170992 0.90 FFAR1 (0.53) LTA4HEPHX2FFAR1PPARGPPARA
SCHEMBL1478337 0.90 NAAA (0.51) FFAR1MPONAAALMNA
SCHEMBL27484744 0.88 NAAA (0.50) FFAR1MPONAAALMNA
SCHEMBL29655601 0.88 NAAA (0.50) FFAR1MPONAAALMNA
SCHEMBL31577212 0.88 NAAA (0.50) FFAR1MPONAAALMNA
SCHEMBL29655674 0.88 NAAA (0.50) FFAR1MPONAAALMNA
SCHEMBL10327442 0.86 MAPT (0.57) LTA4HEPHX2FFAR1PPARGPPARA
SCHEMBL9094542 0.85 FFAR1 (0.65) LTA4HFFAR1PPARGPARP10FFAR4
SCHEMBL10327290 0.84 LTA4H (0.46) LTA4HEPHX2FFAR1PPARGPPARA

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
EP-2349252-A2 SYNERGISTIC COMBINATION OF SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS AND ANTIMICROTUBULE AGENTS Exelixis, Inc. (US) 2011-08-03 EP disclosed
EP-2346821-A1 SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS Exelixis, Inc. (US) 2011-07-27 EP disclosed