SCHEMBL23400941

SCHEMBL23400941

Cc1ccc(-c2[nH]n(CC(C)C)c(=O)c2C(C)(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RGS4 P49798 1/20 0.33
▸ RGS8 P57771 1/20 0.33
▸ HSD17B10 Q99714 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 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
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RAB9A P51151 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
SCHEMBL23399666 0.87 ALDH1A1 (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23403685 0.85 ALDH1A1 (0.39) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23398887 0.84 ALDH1A1 (0.35) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23400755 0.84 ADORA2A (0.35) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23400792 0.82 ADORA2A (0.41) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23398510 0.81 ALDH1A1 (0.40) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23400177 0.80 MEN1 (0.38) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23401882 0.79 ALDH1A1 (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23398777 0.79 MAPT (0.36) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL23402747 0.78 ADORA2A (0.33) ALDH1A1MAPTHPGDMEN1KMT2A

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
Send feedback