SCHEMBL23399063

SCHEMBL23399063

CCCCn1[nH]c(C(C)(C)C)cc1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ABCC9 O60706 1/20 0.37
▸ ABCC8 Q09428 1/20 0.37
▸ KCNJ11 Q14654 1/20 0.37
▸ KCNJ8 Q15842 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ PGR P06401 1/20 0.35
▸ RORA P35398 1/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GPR84 Q9NQS5 1/20 0.34

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
SCHEMBL23401929 0.89 ALDH1A1 (0.45) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL756979 0.85 MEN1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL23403632 0.82 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11498746 0.80 MEN1 (0.47) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL11782320 0.77 L3MBTL1 (0.61) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL23398798 0.75 MEN1 (0.55) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL23400701 0.74 KMT2A (0.54) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL23402512 0.74 ALDH1A1 (0.44) MEN1KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL23403551 0.74 KMT2A (0.54) MEN1KMT2AL3MBTL1GPR84PDE4A
SCHEMBL23399554 0.72 MEN1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1RORA

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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