SCHEMBL30061363

SCHEMBL30061363

Cc1ccc(S(=O)(=O)Oc2cc(O)c3c(c2)OC(C)(C)CC3=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.56
▸ RAB9A P51151 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ LMNA P02545 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ HTT P42858 1/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 2/20 0.52
▸ MAPT P10636 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ MAOB P27338 1/20 0.46
▸ MITF O75030 1/20 0.44
▸ NR2F2 P24468 1/20 0.44

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
SCHEMBL30061361 0.86 MAOB (0.43) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL4508350 0.79 ALDH1A1 (0.61) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL29073630 0.78 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL30576684 0.78 ALDH1A1 (0.40) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL24713724 0.78 CNR2 (0.53) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL30063075 0.77 RAB9A (0.45) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL28914666 0.77 RAB9A (0.45) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL28960991 0.76 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1LMNASMN1; SMN2
SCHEMBL28914579 0.75 MEN1 (0.39) ALDH1A1RAB9ALMNASMN1; SMN2HPGD
SCHEMBL20116002 0.75 ALDH1A1 (0.74) ALDH1A1RAB9ANPC1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322204-A Preparation method and application of glabrous greenbrier rhizome A and derivatives thereof 广西中医药大学 2022-11-11 — — CN claimed
CN-115322204-B Preparation method and application of radix glycyrrhizae glabra A and derivatives thereof 广西中医药大学 2023-09-19 — — CN disclosed
CN-115322204-A Preparation method and application of glabrous greenbrier rhizome A and derivatives thereof 广西中医药大学 2022-11-11 — — CN disclosed
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