SCHEMBL8100962

SCHEMBL8100962

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 3/20 0.42
FOLH1 Q04609 8/20 0.42
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
MEP1B Q16820 2/20 0.38
LOXL2 Q9Y4K0 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
SCHEMBL8094588 0.87 FOLH1 (0.41) SLC7A5FOLH1ANPEPENPEP
SCHEMBL9921264 0.87 FOLH1 (0.56) FOLH1ANPEPENPEPMEP1B
SCHEMBL13543995 0.87 FOLH1 (0.56) FOLH1ANPEPENPEPMEP1B
SCHEMBL20222942 0.85 FOLH1 (0.51) SLC7A5FOLH1ANPEPENPEPMEP1B
SCHEMBL8095515 0.85 SLC7A5 (0.41) SLC7A5FOLH1ANPEPENPEPMEP1B
SCHEMBL8085934 0.84 FOLH1 (0.41) SLC7A5FOLH1ANPEPENPEP
SCHEMBL8098358 0.84 FOLH1 (0.47) SLC7A5FOLH1ANPEPENPEP
SCHEMBL8096043 0.83 FOLH1 (0.42) SLC7A5FOLH1
SCHEMBL20257158 0.83 SLC7A5 (0.63) SLC7A5FOLH1LOXL2
SCHEMBL8093997 0.82 FOLH1 (0.41) FOLH1

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