SCHEMBL28905941

SCHEMBL28905941

C[C@@H](Cc1ccsc1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
ALOX5 P09917 1/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
OPRM1 P35372 6/20 0.41
OPRK1 P41145 3/20 0.41
OPRD1 P41143 3/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
LMNA P02545 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL28905953 1.00 MME (0.47) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL28453930 1.00 MME (0.47) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL9903748 0.80 MME (0.44) MMESLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL9902890 0.80 MME (0.44) MMESLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL934545 0.80 MME (0.48) MMESLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL7418074 0.78 MME (0.56) MMESLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL28237997 0.78 SLC6A2 (0.50) SLC1A3SLC1A2SLC1A1PTGS1CTSK
SCHEMBL1811694 0.78 SLC6A2 (0.50) SLC1A3SLC1A2SLC1A1PTGS1CTSK
SCHEMBL28914994 0.78 SLC6A2 (0.50) SLC1A3SLC1A2SLC1A1PTGS1CTSK
SCHEMBL2561209 0.75 NPC1 (0.45) ALOX5PTGS1PTGS2LMNACHRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433160-B Analgesic active compounds and medical application thereof 中国人民解放军军事科学院军事医学研究院 2023-06-30 CN disclosed
CN-115433160-A Analgesic active compound and medical application thereof 中国人民解放军军事科学院军事医学研究院 2022-12-06 CN disclosed