SCHEMBL28772469

SCHEMBL28772469

O=c1[nH]cnc2c1ncn2C1OC[C@@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ STING1 Q86WV6 6/20 0.56
▸ P2RX3 P56373 1/20 0.53
▸ TYMP P19971 4/20 0.53
▸ ADORA3 P0DMS8 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ ALB P02768 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GSK3A P49840 2/20 0.49
▸ RPS6KA3 P51812 2/20 0.49
▸ MAPK14 Q16539 2/20 0.49

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
SCHEMBL23600855 0.97 STING1 (0.56) STING1P2RX3TYMPADORA3ALDH1A1
SCHEMBL31170758 0.82 P2RX3 (0.61) STING1P2RX3TYMPADORA3ALDH1A1
SCHEMBL6551940 0.81 STING1 (0.58) STING1ADORA3GSK3ARPS6KA3MAPK14
SCHEMBL20309498 0.81 STING1 (0.58) STING1P2RX3TYMPADORA3ALDH1A1
SCHEMBL7033376 0.80 ADORA3 (0.44) STING1P2RX3TYMPADORA3ALDH1A1
SCHEMBL5571313 0.79 STING1 (0.58) STING1ADORA3
SCHEMBL21162740 0.79 STING1 (0.58) STING1ADORA3
SCHEMBL16822243 0.79 STING1 (0.58) STING1ADORA3
SCHEMBL8883524 0.79 AHCY (0.60) STING1TYMPADORA3ALDH1A1LMNA
Inosine SCHEMBL16707275 0.78 PAX8 (0.69) P2RX3TYMPADORA3ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114558061-B Loquat leaf extract and preparation method and application thereof 浙江大学 2023-04-04 — — CN claimed
CN-114558061-A Loquat leaf extract and preparation method and application thereof 浙江大学 2022-05-31 — — CN claimed
CN-119866889-A Method for producing fragrant style tobacco leaves 福建中烟工业有限责任公司 2025-04-25 — — CN disclosed
CN-114558061-B Loquat leaf extract and preparation method and application thereof 浙江大学 2023-04-04 — — CN disclosed
CN-114558061-A Loquat leaf extract and preparation method and application thereof 浙江大学 2022-05-31 — — CN disclosed
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