SCHEMBL24340644

SCHEMBL24340644

C1CCC(N2C3CCCC32)C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2D6 P10635 1/20 0.34
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL19382439 0.79 PKM (0.33) ALDH1A1KDM4EKMT2AMEN1CYP2D6
SCHEMBL10269953 0.79 KMT2A (0.46) ALDH1A1KDM4EHSD17B10MAPK1KMT2A
SCHEMBL880757 0.76 KMT2A (0.45) ALDH1A1MAPK1KMT2AMEN1CYP2D6
SCHEMBL12028780 0.76 KMT2A (0.45) ALDH1A1MAPK1KMT2AMEN1CYP2D6
SCHEMBL12345490 0.76 KMT2A (0.45) ALDH1A1MAPK1KMT2AMEN1CYP2D6
SCHEMBL14824990 0.75 MEN1 (0.33) KMT2AMEN1CYP2D6
SCHEMBL3118431 0.74
SCHEMBL22508030 0.73 GAA (0.30) GAAPKMTDP1
SCHEMBL24839930 0.72
SCHEMBL21547917 0.72 KMT2A (0.41) ALDH1A1KDM4EHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220073985-A1 DISEASE STRATIFICATION OF LIVER DISEASE AND RELATED METHODS SUPERFLUID DX, INC. 2022-03-10 US disclosed