SCHEMBL27116310

SCHEMBL27116310

CC(=O)Cc1ccc2c(c1)C1(OC2=O)c2ccc(N(C)C)cc2Oc2cc(N(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ HPGD P15428 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ CYP3A4 P08684 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ FTO Q9C0B1 10/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44

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
SCHEMBL23192496 0.86 FTO (0.62) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL13663813 0.83 MAPT (0.49) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL19372812 0.81 GSTP1 (0.39) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL16745253 0.81 HPGD (0.48) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL31580086 0.81 HPGD (0.48) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL20353110 0.80 ALDH1A1 (0.52) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL13662232 0.79 MAPT (0.47) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL18874719 0.79 FTO (0.52) GSTP1MEN1KMT2AMAPTALDH1A1
SCHEMBL31580046 0.78 FTO (0.66) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9610878 0.78 FTO (0.66) MEN1KMT2AMAPTALDH1A1HTT

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
WO-2024042146-A2 COVALENT FLUORESCENT PROBES FOR CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2024-02-29 — — WO disclosed
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