SCHEMBL23402777

SCHEMBL23402777

Cc1ccc(-c2c(-c3cccc(C)c3)[nH]n(CC(C)C)c2=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALKBH3 Q96Q83 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ICMT O60725 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ MAPK14 Q16539 5/20 0.35
▸ THRB P10828 1/20 0.34
▸ DPP4 P27487 2/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ TGFBR1 P36897 1/20 0.33
▸ FYN P06241 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
SCHEMBL23400715 0.94 ALKBH3 (0.41) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23398795 0.88 ALKBH3 (0.43) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23398812 0.88 ALKBH3 (0.43) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23398510 0.88 ALDH1A1 (0.40) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23401761 0.86 MAPK14 (0.41) ALKBH3ALDH1A1HPGDMEN1KMT2A
SCHEMBL23402929 0.84 ALDH1A1 (0.38) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23398851 0.84 ALKBH3 (0.39) ALKBH3ALDH1A1POLBKMT2AMAPK14
SCHEMBL23401728 0.81 KMT2A (0.43) ALKBH3ALDH1A1POLBMEN1KMT2A
SCHEMBL23400258 0.81 SMN1; SMN2 (0.47) ALKBH3ALDH1A1POLBHPGDMEN1
SCHEMBL23402357 0.81 ALKBH3 (0.40) ALKBH3ALDH1A1POLBHPGDMEN1

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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