SCHEMBL8096043

SCHEMBL8096043

CCCCCC(C)Cc1cccc(C(=O)Br)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.42
BDKRB2 P30411 2/20 0.41
PPARA Q07869 1/20 0.41
CNR2 P34972 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
LTB4R Q15722 2/20 0.38
SLC7A5 Q01650 2/20 0.38

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
SCHEMBL8093997 0.99 FOLH1 (0.41) FOLH1BDKRB2PPARACNR2CYP4F2
SCHEMBL8085934 0.96 FOLH1 (0.41) FOLH1BDKRB2PPARACNR2CYP4F2
SCHEMBL8094588 0.90 FOLH1 (0.41) FOLH1CYP4F2CYP4A11SLC7A5
SCHEMBL8093908 0.87 FOLH1 (0.41) FOLH1BDKRB2PPARACNR2CYP4F2
SCHEMBL8095853 0.86 FOLH1 (0.40) FOLH1PPARACNR2CYP4F2CYP4A11
SCHEMBL8100962 0.83 SLC7A5 (0.42) FOLH1SLC7A5
SCHEMBL8094233 0.83 FOLH1 (0.40) FOLH1CNR2CYP4F2CYP4A11SLC7A5
SCHEMBL21286787 0.79 OPRM1 (0.48)
SCHEMBL8095894 0.79 LPL (0.54) PPARACYP4F2CYP4A11
SCHEMBL8098358 0.78 FOLH1 (0.47) FOLH1SLC7A5

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