SCHEMBL8098007

SCHEMBL8098007

CCCCc1cccc(C(=O)Br)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.53
CYP4A11 Q02928 3/20 0.53
PLK1 P53350 1/20 0.49
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
SPHK2 Q9NRA0 1/20 0.47
SPHK1 Q9NYA1 1/20 0.47
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
MAP1LC3B Q9GZQ8 1/20 0.45
MAP1LC3A Q9H492 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
RARB P10826 1/20 0.45
XIAP P98170 1/20 0.44

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
SCHEMBL8095894 0.95 LPL (0.54) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL8100373 0.93 LPL (0.55) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL8087110 0.93 LPL (0.55) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL8098026 0.93 LPL (0.55) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL8093173 0.89 KAT6A (0.51) CYP4F2CYP4A11PLK1MAP1LC3BMAP1LC3A
SCHEMBL11757933 0.87 CYP4F2 (0.54) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL8341269 0.86 CYP4F2 (0.53) CYP4F2CYP4A11LPLLIPGSPHK2
SCHEMBL3387825 0.86 FOLH1 (0.58) CYP4F2CYP4A11PPARGPPARASMN1; SMN2
SCHEMBL31124111 0.86 FOLH1 (0.58) CYP4F2CYP4A11PPARGPPARASMN1; SMN2
SCHEMBL7841898 0.86 CYP4F2 (0.53) CYP4F2CYP4A11PLK1LPLLIPG

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