SCHEMBL28914666

SCHEMBL28914666

COC(=O)c1c(OS(=O)(=O)c2ccc(C)cc2)cc2c(c1O)C(=O)CC(C)(C)O2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.45
▸ MAPT P10636 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ POLB P06746 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NPC1 O15118 4/20 0.36
▸ MITF O75030 1/20 0.36
▸ NR2F2 P24468 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL30063075 1.00 RAB9A (0.45) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28914544 0.90 RAB9A (0.41) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL30061359 0.90 RAB9A (0.41) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL29073630 0.90 ALDH1A1 (0.40) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL30576684 0.90 ALDH1A1 (0.40) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28960991 0.79 ALDH1A1 (0.39) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL30061363 0.77 ALDH1A1 (0.56) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL29924171 0.77 RAB9A (0.56) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL28865080 0.77 RAB9A (0.56) RAB9AMAPTLMNASMN1; SMN2TSHR
SCHEMBL30061361 0.76 MAOB (0.43) RAB9AMAPTLMNASMN1; SMN2NPSR1

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-B Preparation method and application of radix glycyrrhizae glabra A and derivatives thereof 广西中医药大学 2023-09-19 — — 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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