SCHEMBL31580184

SCHEMBL31580184

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C21OC(=O)c2cc(C(=O)O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ CYP3A4 P08684 2/20 0.55
▸ HIF1A Q16665 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ FTO Q9C0B1 9/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ BLM P54132 1/20 0.48
▸ SMAD3 P84022 1/20 0.48
▸ PRMT1 Q99873 1/20 0.48
▸ ACE2 Q9BYF1 1/20 0.48
▸ LMNA P02545 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ GSTP1 P09211 1/20 0.45

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
SCHEMBL16974362 1.00 HPGD (0.55) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL29395325 0.95 HPGD (0.51) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL19786811 0.92 HPGD (0.48) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL16745253 0.92 HPGD (0.48) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL31580086 0.92 HPGD (0.48) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL18685195 0.90 ALDH1A1 (0.55) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL18680082 0.88 CYP3A4 (0.53) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL19362150 0.87 FTO (0.46) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL20024428 0.87 HPGD (0.52) HPGDTDP1ALDH1A1CYP3A4HIF1A
SCHEMBL10376806 0.84 FTO (0.45) HPGDTDP1ALDH1A1CYP3A4HIF1A

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-2025104141-A1 NOVEL REVERSIBLE FLUORESCENT PROBES FOR CB2 F. HOFFMANN-LA ROCHE AG (CH) 2025-05-22 — — WO disclosed
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