SCHEMBL28872391

SCHEMBL28872391

COc1ccc2c(c1O)C(=O)c1c(cc(O)c(C)c1O)C2=O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.67
▸ MEN1 O00255 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ NPC1 O15118 1/20 0.61
▸ MAPT P10636 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ ELANE P08246 8/20 0.56
▸ ACLY P53396 2/20 0.47
▸ EGFR P00533 2/20 0.43
▸ PIM1 P11309 2/20 0.43
▸ CTSG P08311 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ CDK4 P11802 1/20 0.43
▸ CCND1 P24385 1/20 0.43

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
SCHEMBL16226428 0.95 MEN1 (0.63) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL28872286 0.86 EPHX2 (0.60) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL23198975 0.84 EPHX2 (0.65) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL29709367 0.81 EPHX2 (0.70) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL31441199 0.81 EPHX2 (0.64) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL29066488 0.78 ACLY (0.52) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL17867452 0.78 MEN1 (0.61) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL28872293 0.77 RAB9A (0.59) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL31441205 0.76 MAPT (1.00) EPHX2MEN1KMT2ANPC1MAPT
SCHEMBL1426486 0.76 MAPT (1.00) EPHX2MEN1KMT2ANPC1MAPT

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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