SCHEMBL8093908

SCHEMBL8093908

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 7/20 0.41
CNR2 P34972 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
PPARA Q07869 1/20 0.38
LTB4R Q15722 2/20 0.38
BDKRB2 P30411 1/20 0.38
SLC7A5 Q01650 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL8095853 0.99 FOLH1 (0.40) FOLH1CNR2CYP4F2CYP4A11PPARA
SCHEMBL8094233 0.96 FOLH1 (0.40) FOLH1CNR2CYP4F2CYP4A11SLC7A5
SCHEMBL8087560 0.90 FOLH1 (0.40) FOLH1CYP4F2CYP4A11SLC7A5
SCHEMBL8096043 0.87 FOLH1 (0.42) FOLH1CNR2CYP4F2CYP4A11PPARA
SCHEMBL8093997 0.86 FOLH1 (0.41) FOLH1CNR2CYP4F2CYP4A11PPARA
SCHEMBL8095515 0.84 SLC7A5 (0.41) FOLH1SLC7A5
SCHEMBL8085934 0.83 FOLH1 (0.41) FOLH1CNR2CYP4F2CYP4A11PPARA
SCHEMBL8102327 0.79 LPL (0.53) CYP4F2CYP4A11PPARA
SCHEMBL8094952 0.79 FOLH1 (0.46) FOLH1SLC7A5
Hexane SCHEMBL5195484 0.78 SMN1; SMN2 (0.55) SMN1; SMN2

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