SCHEMBL9618005

SCHEMBL9618005

NC(N)(C1CCCCCC1)C1CCCCCC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL27227 1.00 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL10506805 0.84 EPHX1 (0.34)
SCHEMBL28240488 0.84 SIGMAR1 (0.38) MEN1KMT2ASIGMAR1ALDH1A1HSD17B10
Carbamic Acid SCHEMBL11387830 0.84 EPHX1 (0.39) ALDH1A1
SCHEMBL29011963 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL735570 0.80 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3357989 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL19044337 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6839594 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1
SCHEMBL6404565 0.79 THRB (0.33) THRBMEN1KMT2ASIGMAR1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4080228-A None JP disclosed
JP-4080227-A None JP disclosed
JP-H0480228-A CURING AGENT FOR EPOXY RESIN MITSUI TOATSU CHEM INC 1992-03-13 JP disclosed
JP-H0480227-A CURING AGENT FOR EPOXY RESIN MITSUI TOATSU CHEM INC 1992-03-13 JP disclosed