SCHEMBL8094588

SCHEMBL8094588

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.41
SLC7A5 Q01650 3/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
POLB P06746 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
SCHEMBL8085934 0.91 FOLH1 (0.41) FOLH1SLC7A5ANPEPENPEPCYP4F2
SCHEMBL8096043 0.90 FOLH1 (0.42) FOLH1SLC7A5CYP4F2CYP4A11
SCHEMBL8093997 0.88 FOLH1 (0.41) FOLH1CYP4F2CYP4A11
SCHEMBL8100962 0.87 SLC7A5 (0.42) FOLH1SLC7A5ANPEPENPEP
SCHEMBL8087560 0.86 FOLH1 (0.40) FOLH1SLC7A5ANPEPENPEPTAS1R3
SCHEMBL8098358 0.82 FOLH1 (0.47) FOLH1SLC7A5ANPEPENPEP
SCHEMBL8094233 0.78 FOLH1 (0.40) FOLH1SLC7A5ANPEPENPEPCYP4F2
SCHEMBL20718631 0.77 KDM4E (0.48)
SCHEMBL8093908 0.77 FOLH1 (0.41) FOLH1SLC7A5CYP4F2CYP4A11
SCHEMBL8093173 0.76 KAT6A (0.51) FOLH1CYP4F2CYP4A11POLB

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