SCHEMBL8087110

SCHEMBL8087110

CCCCCCCc1cccc(C(=O)Br)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.55
LIPG Q9Y5X9 2/20 0.55
PPARA Q07869 6/20 0.55
PPARG P37231 4/20 0.55
SPHK2 Q9NRA0 1/20 0.54
SPHK1 Q9NYA1 1/20 0.54
CYP4F2 P78329 2/20 0.51
CYP4A11 Q02928 2/20 0.51
KAT8 Q9H7Z6 2/20 0.49

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
SCHEMBL8100373 1.00 LPL (0.55) LPLLIPGPPARAPPARGSPHK2
SCHEMBL8098026 1.00 LPL (0.55) LPLLIPGPPARAPPARGSPHK2
SCHEMBL8095894 0.98 LPL (0.54) LPLLIPGPPARAPPARGSPHK2
SCHEMBL8098007 0.93 CYP4F2 (0.53) LPLLIPGPPARAPPARGSPHK2
SCHEMBL11434969 0.87 LPL (0.55) LPLLIPGPPARAPPARGSPHK2
SCHEMBL289254 0.87 RARB (0.59) LPLLIPGPPARAPPARGKAT8
SCHEMBL15174619 0.87 RARB (0.59) LPLLIPGPPARAPPARGKAT8
SCHEMBL1876486 0.87 RARB (0.59) LPLLIPGPPARAPPARGKAT8
SCHEMBL11442846 0.87 RARB (0.59) LPLLIPGPPARAPPARGKAT8
SCHEMBL15766204 0.87 RARB (0.59) LPLLIPGPPARAPPARGKAT8

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
EP-0708077-B1 Diamino compounds and methods for preparing them CHISSO CORP (JP) 2000-12-27 EP disclosed
US-5663440-A Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1997-09-02 US disclosed
EP-0708077-A1 Diamino compounds and methods for preparing them CHISSO CORPORATION (JP) 1996-04-24 EP disclosed