SCHEMBL28872318

SCHEMBL28872318

COc1cc2c(cc1OC)C(=O)c1c(cc(O)c(C)c1OC)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.55
▸ MAPT P10636 5/20 0.49
▸ LCK P06239 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ GLA P06280 2/20 0.49
▸ THRB P10828 1/20 0.49
▸ LIMK1 P53667 1/20 0.49
▸ LIMK2 P53671 1/20 0.49
▸ PIM1 P11309 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ HPGD P15428 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ELANE P08246 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPK1 P28482 2/20 0.40

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
SCHEMBL28872293 0.85 RAB9A (0.59) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL16227041 0.84 MAPT (0.68) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL16226647 0.84 ALDH1A1 (0.52) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL30485987 0.84 LCK (0.58) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL29709367 0.81 EPHX2 (0.70) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL27909607 0.79 BCL2 (0.59) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL19438103 0.78 NPC1 (0.54) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL28872286 0.77 EPHX2 (0.60) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL16226066 0.76 RAB9A (0.64) EPHX2MAPTLCKALDH1A1GLA
SCHEMBL30020897 0.76 RAB9A (0.64) EPHX2MAPTLCKALDH1A1GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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