SCHEMBL30388348

SCHEMBL30388348

c1ccc(COc2ccc(CSCc3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
CYP1A2 P05177 1/20 0.62
PTGS1 P23219 1/20 0.62
SLC6A2 P23975 1/20 0.62
CYP2C19 P33261 1/20 0.62
PTGS2 P35354 1/20 0.62
SLC6A3 Q01959 1/20 0.62
HIF1A Q16665 1/20 0.62
HDAC6 Q9UBN7 1/20 0.62
MAOB P27338 3/20 0.61
BCHE P06276 1/20 0.61
GAA P10253 1/20 0.60
MAPT P10636 1/20 0.60
MAOA P21397 1/20 0.60
RAB9A P51151 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
APP P05067 1/20 0.55

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
SCHEMBL7103818 0.91 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5661941 0.86 LTA4H (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL10609652 0.85 LMNA (0.75) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL339813 0.85 LMNA (0.82) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5668530 0.85 MAOB (0.50) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL5665684 0.82 LMNA (0.51) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28520700 0.82 MEN1 (0.56) LMNACYP1A2BCHEMAPTRAB9A
SCHEMBL1352036 0.82 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL15745228 0.81 NPC1 (0.56) LMNAPTGS1PTGS2MAOBRAB9A
SCHEMBL11856925 0.81 LMNA (0.69) LMNACYP1A2PTGS1SLC6A2CYP2C19

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-112190570-B Application of gastrodia tuber source derivative in preparing medicine for treating acute or chronic pain 中国医学科学院药物研究所 2023-05-05 CN disclosed