SCHEMBL22305755

SCHEMBL22305755

CC(C)NCCCCCNC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
ALDH1A2 O94788 1/20 0.48
ALDH2 P05091 1/20 0.48
ALDH1A3 P47895 1/20 0.48
KMT2A Q03164 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
EPHX1 P07099 6/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
MMP8 P22894 1/20 0.41
RRM1 P23921 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 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
SCHEMBL22837663 1.00 ALDH1A1 (0.48) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL21106783 1.00 ALDH1A1 (0.48) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL20346222 0.94 KMT2A (0.49) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL21106577 0.90 KMT2A (0.44) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL23188735 0.89 ALDH1A1 (0.58) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL17777241 0.89 ALDH1A1 (0.58) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL23839910 0.89 ALDH1A1 (0.58) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL22837738 0.89 CYP2D6 (0.42) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL21106811 0.89 CYP2D6 (0.39) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A
SCHEMBL861034 0.87 KMT2A (0.57) ALDH1A1ALDH1A2ALDH2ALDH1A3KMT2A

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
WO-2020160192-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2020-08-06 WO disclosed