SCHEMBL8093997

SCHEMBL8093997

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 4/20 0.41
BDKRB2 P30411 2/20 0.40
PPARA Q07869 1/20 0.40
LTB4R Q15722 2/20 0.40
CSNK1E P49674 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
NAAA Q02083 1/20 0.39
CNR2 P34972 1/20 0.39
PRSS1 P07477 1/20 0.38
CTSG P08311 1/20 0.38
CTRB1 P17538 1/20 0.38
CMA1 P23946 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 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
SCHEMBL8096043 0.99 FOLH1 (0.42) FOLH1BDKRB2PPARALTB4RCNR2
SCHEMBL8085934 0.94 FOLH1 (0.41) FOLH1BDKRB2PPARACNR2CYP4F2
SCHEMBL8094588 0.88 FOLH1 (0.41) FOLH1CYP4F2CYP4A11
SCHEMBL8095853 0.88 FOLH1 (0.40) FOLH1PPARALTB4RCSNK1EACE2
SCHEMBL8093908 0.86 FOLH1 (0.41) FOLH1BDKRB2PPARALTB4RCNR2
SCHEMBL8100962 0.82 SLC7A5 (0.42) FOLH1
SCHEMBL8094233 0.82 FOLH1 (0.40) FOLH1CNR2CYP4F2CYP4A11
SCHEMBL29216377 0.80 OPRM1 (0.49) CSNK1E
SCHEMBL8087110 0.79 LPL (0.55) PPARACYP4F2CYP4A11
SCHEMBL8098026 0.79 LPL (0.55) PPARACYP4F2CYP4A11

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