SCHEMBL26603383

SCHEMBL26603383

Cc1c(C(=O)O)oc2ccc(S(=O)(=O)NCCc3cccc(C(F)(F)F)c3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.64
▸ HPGD P15428 5/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ ALDH1A1 P00352 4/20 0.58
▸ CYP1A2 P05177 2/20 0.52
▸ CYP2C9 P11712 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ NR1H4 Q96RI1 1/20 0.50
▸ TSHR P16473 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ MAPT P10636 3/20 0.47
▸ USP2 O75604 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ SMPD1 P17405 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL30709106 1.00 GAA (0.64) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL30709145 0.94 GAA (0.63) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL26603504 0.94 GAA (0.63) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL26603338 0.90 ALDH1A1 (0.64) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL26603399 0.89 HIF1A (0.67) GAAHIF1ASMN1; SMN2USP2MAPK1
SCHEMBL26603461 0.88 GAA (0.68) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL30709102 0.88 GAA (0.68) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL26603495 0.88 GAA (0.70) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL30626150 0.87 GAA (0.80) GAAHPGDHSD17B10ALDH1A1CYP1A2
SCHEMBL26603300 0.87 GAA (0.80) GAAHPGDHSD17B10ALDH1A1CYP1A2

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-2023202582-A1 GPCR REGULATOR AND USE THEREOF 北京昌平实验室 2023-10-26 — — WO disclosed
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