SCHEMBL25599237

SCHEMBL25599237

Cc1c(N)cc(C(C)C)cc1/C=C\O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
HIF1A Q16665 1/20 0.39
KDM4E B2RXH2 1/20 0.35
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL7169446 0.76 ALDH1A1 (0.48) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL27494176 0.71 ALDH1A1 (0.55) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL22962176 0.70 ALDH1A1 (0.43) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL1824775 0.67 ALDH1A1 (0.41) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL11864455 0.65 ALDH1A1 (0.58) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL27066018 0.64
SCHEMBL8747660 0.64 FABP3 (0.46) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL11440368 0.64 ALDH1A1 (0.38) ALDH1A1GAAALOX12HTTHIF1A
SCHEMBL18557294 0.64 PTGS1 (0.33) KDM4EPTGS1PTGS2
SCHEMBL22047488 0.63 GAA (0.56) ALDH1A1GAAALOX12HTTHIF1A

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
EP-4198164-A1 MIXED LAYER, METHOD OF PREPARING THE MIXED LAYER, LIGHT-EMITTING DEVICE, AND ELECTRONIC APPARATUS Samsung Electronics Co., Ltd. (KR) 2023-06-21 EP disclosed