SCHEMBL28872322

SCHEMBL28872322

COc1ccc2c(c1OC)C(=O)C1=C(CC(C)C(O)C1)C2=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ACHE P22303 3/20 0.45
▸ KDM4E B2RXH2 4/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ USP8 P40818 1/20 0.40
▸ USP7 Q93009 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TCF4 P15884 1/20 0.38
▸ CTNNB1 P35222 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SOS1 Q07889 2/20 0.35
▸ HDAC4 P56524 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
SCHEMBL28872319 0.80 EPHX2 (0.51) RAB9ANPC1ACHEEPHX2MEN1
SCHEMBL12253692 0.71 RAB9A (0.76) RAB9ANPC1SMN1; SMN2ACHEKDM4E
SCHEMBL31441200 0.69 RAB9A (0.68) RAB9ANPC1SMN1; SMN2ACHEKDM4E
SCHEMBL496978 0.67 RAB9A (1.00) RAB9ANPC1SMN1; SMN2KDM4EEPHX2
SCHEMBL3431641 0.67 RAB9A (0.59) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL5146135 0.65 SMN1; SMN2 (0.69) RAB9ANPC1SMN1; SMN2KDM4EHSD17B10
SCHEMBL6053074 0.65 ADRA1A (0.53) ACHEKDM4EALDH1A1HPGDMAPT
SCHEMBL6053068 0.65 ADRA1A (0.53) ACHEKDM4EALDH1A1HPGDMAPT
SCHEMBL6053070 0.65 ADRA1A (0.53) ACHEKDM4EALDH1A1HPGDMAPT
SCHEMBL7970824 0.64 RAB9A (0.65) RAB9ANPC1SMN1; SMN2ACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115245533-B Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-07-28 — — CN claimed
WO-2022228095-A1 APPLICATION OF PRISMATOMERIS CONNATA Y. Z. RUAN ROOT EXTRACT IN PREPARATION OF MEDICINE FOR TREATING PULMONARY FIBROSIS 中国医学科学院药物研究所 2022-11-03 — — WO claimed
CN-115245533-A Application of south mountain flower root extract in pulmonary fibrosis treatment 中国医学科学院药物研究所 2022-10-28 — — CN claimed
CN-116585295-A Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-08-15 — — CN disclosed
CN-115245533-B Application of Nanshan flower root extract in treating pulmonary fibrosis 中国医学科学院药物研究所 2023-07-28 — — CN disclosed
WO-2022228095-A1 APPLICATION OF PRISMATOMERIS CONNATA Y. Z. RUAN ROOT EXTRACT IN PREPARATION OF MEDICINE FOR TREATING PULMONARY FIBROSIS 中国医学科学院药物研究所 2022-11-03 — — WO disclosed
CN-115245533-A Application of south mountain flower root extract in pulmonary fibrosis treatment 中国医学科学院药物研究所 2022-10-28 — — CN disclosed
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