SCHEMBL31417734

SCHEMBL31417734

COC(=O)c1cc(Br)cc(OCC(OC)OC)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 3/20 0.34
▸ EED O75530 1/20 0.34
▸ RBBP4 Q09028 1/20 0.34
▸ SUZ12 Q15022 1/20 0.34
▸ AEBP2 Q6ZN18 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ GAA P10253 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NR4A2 P43354 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CASP1 P29466 1/20 0.33
▸ CASP7 P55210 1/20 0.33
▸ HTT P42858 2/20 0.33

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
SCHEMBL31417728 1.00 OPRK1 (0.34) OPRK1EEDRBBP4SUZ12AEBP2
SCHEMBL12957471 0.79 KDM4E (0.47) HSD17B10ALDH1A1MAPTGAAKDM4E
SCHEMBL15390295 0.78 LMNA (0.42) OPRK1EEDRBBP4SUZ12AEBP2
SCHEMBL31417695 0.78 SMN1; SMN2 (0.38) HSD17B10ALDH1A1MAPTGAAMAPK1
SCHEMBL31417579 0.78 SMN1; SMN2 (0.38) HSD17B10ALDH1A1MAPTGAAMAPK1
SCHEMBL26654482 0.77 AAK1 (0.36) ALDH1A1MAPTGAAMAPK1TSHR
SCHEMBL15391457 0.76 EED (0.55) EEDRBBP4SUZ12AEBP2HSD17B10
SCHEMBL1229320 0.75 KDM4E (0.43) HSD17B10ALDH1A1MAPTGAAKDM4E
SCHEMBL31444120 0.75 POLB (0.51) HSD17B10ALDH1A1GAAKDM4EHPGD
SCHEMBL31443911 0.75 ALDH1A1 (0.39) HSD17B10ALDH1A1MAPTMAPK1KDM4E

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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