SCHEMBL30709059

SCHEMBL30709059

CCOC(=O)c1oc2ccc(S(=O)(=O)NCCc3cccc(OC)c3)cc2c1C

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PARG Q86W56 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.55
▸ HIF1A Q16665 12/20 0.55
▸ AKR1C3 P42330 1/20 0.55
▸ GAA P10253 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ STAT1 P42224 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ MAPT P10636 1/20 0.49

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
SCHEMBL26603266 1.00 PARG (0.57) PARGALDH1A1HIF1AAKR1C3GAA
SCHEMBL26603305 0.93 PARG (0.57) PARGALDH1A1HIF1AGAAUSP2
SCHEMBL30709126 0.93 PARG (0.57) PARGALDH1A1HIF1AGAAUSP2
SCHEMBL30709080 0.92 PARG (0.60) PARGALDH1A1HIF1AUSP2LMNA
SCHEMBL26603361 0.92 PARG (0.60) PARGALDH1A1HIF1AUSP2LMNA
SCHEMBL30709107 0.91 HIF1A (0.55) PARGHIF1AGAAUSP2LMNA
SCHEMBL26603319 0.91 HIF1A (0.55) PARGHIF1AGAAUSP2LMNA
SCHEMBL30709142 0.90 ALDH1A1 (0.68) ALDH1A1AKR1C3GAANPC1RAB9A
SCHEMBL26603443 0.90 ALDH1A1 (0.68) ALDH1A1AKR1C3GAANPC1RAB9A
SCHEMBL26603402 0.90 ALDH1A1 (0.66) PARGALDH1A1HIF1AAKR1C3USP2

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-116903563-A GPCR modulators and uses thereof 北京昌平实验室 2023-10-20 — — CN disclosed
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