SCHEMBL31092250

SCHEMBL31092250

C=C1CC(OC(=O)C(C)C)C2C(=C)C(=O)O[C@@H]2C2C(=C)[C@@H](O)CC12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PPARG P37231 2/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MITF O75030 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ PGGT1B P53609 1/20 0.34
▸ PTPN1 P18031 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
Aguerin B SCHEMBL29352650 0.85 MAPT (0.54) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL10307519 0.82 MAPT (0.43) MAPTMEN1ALDH1A1KMT2ANPC1
Cynaropicrin SCHEMBL349976 0.81 MAPT (0.42) MAPTMEN1ALDH1A1KMT2ANPC1
Cynaropicrin SCHEMBL1711811 0.81 MAPT (0.42) MAPTMEN1ALDH1A1KMT2ANPC1
Cynaropicrin SCHEMBL1711522 0.81 MAPT (0.42) MAPTMEN1ALDH1A1KMT2ANPC1
Desacylcynaropicrin SCHEMBL10307509 0.77 MAPT (0.33) MAPTMEN1ALDH1A1KMT2ANPC1
Desacylcynaropicrin SCHEMBL1712162 0.77 MAPT (0.33) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL10307583 0.72 MAPT (0.35) MAPTMEN1ALDH1A1KMT2ANPC1
Isozaluzanin C SCHEMBL17214374 0.67 PKM (0.40) MAPTMEN1ALDH1A1KMT2ANPC1
SCHEMBL18180882 0.66 FNTA (0.45) MAPTMEN1ALDH1A1KMT2ANPC1

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
CN-118574933-A Methods for treating ornithine carbamoyltransferase (OTC) deficiency 宾夕法尼亚州大学信托人 2024-08-30 — — CN disclosed
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