SCHEMBL23400558

SCHEMBL23400558

Cc1cccc(-c2[nH]n(C(C)C)c(=O)c2C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ FYN P06241 1/20 0.35
▸ CLK4 Q9HAZ1 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ MAPK14 Q16539 4/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ CDC7 O00311 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ TYMP P19971 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ XDH P47989 1/20 0.33

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
SCHEMBL23399769 0.86 ALDH1A1 (0.40) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23400215 0.84 ALDH1A1 (0.36) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL23402747 0.83 ADORA2A (0.33) ALDH1A1POLBKMT2ANPC1RAB9A
SCHEMBL23399884 0.82 ALDH1A1 (0.40) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23400378 0.81 ALDH1A1 (0.39) ALDH1A1FYNCLK4DYRK1BKMT2A
SCHEMBL23398887 0.81 ALDH1A1 (0.35) ALDH1A1POLBMAPK1KMT2ANOTUM
SCHEMBL23400862 0.80 ALKBH3 (0.44) ALDH1A1POLBMAPK1KMT2ANPC1
SCHEMBL23400641 0.78 ALKBH5 (0.43) ALDH1A1MAPK1KMT2ANPC1RAB9A
SCHEMBL23402357 0.78 ALKBH3 (0.40) ALDH1A1POLBMAPK1FYNCLK4
SCHEMBL23402798 0.78 POLB (0.38) ALDH1A1POLBMAPK1FYNCLK4

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
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