SCHEMBL23398777

SCHEMBL23398777

Cc1ccc(-c2[nH]n(CC(C)C)c(=O)c2CC(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 1/20 0.36
RGS4 P49798 1/20 0.34
RGS8 P57771 1/20 0.34
ADORA2A P29274 2/20 0.32
ADORA2B P29275 2/20 0.32
HSD17B10 Q99714 2/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
USP2 O75604 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL23401807 0.89 ADORA2A (0.34) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23401882 0.89 ALDH1A1 (0.36) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23403217 0.87 ALDH1A1 (0.42) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23402775 0.86 ADORA2A (0.40) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23399909 0.86 CYBB (0.43) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23402308 0.85 CYBB (0.38) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23403387 0.84 MEN1 (0.36) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL23403685 0.84 ALDH1A1 (0.39) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23403363 0.82 ADORA2A (0.36) MAPTALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL23398510 0.82 ALDH1A1 (0.40) MAPTALDH1A1HPGDSMN1; SMN2MEN1

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-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed