SCHEMBL30117305

SCHEMBL30117305

CCOc1cc(/C=C2\SC(=Nc3cccc(C(=O)O)c3)N(C)C2=O)cc(Cl)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTP4A3 O75365 1/20 1.00
▸ PPARG P37231 1/20 0.79
▸ ITGB3 P05106 2/20 0.65
▸ ITGAV P06756 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ RECQL P46063 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.59
▸ DUSP26 Q9BV47 2/20 0.58

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
SCHEMBL12717765 0.91 PTP4A3 (0.83) PTP4A3PPARGITGB3ITGAVKDM4E
SCHEMBL29763595 0.88 PPARG (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL20846416 0.82 PTP4A3 (0.70) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL14876911 0.79 ITGB3 (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL14876908 0.79 ITGB3 (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL14876910 0.79 ITGB3 (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL12717615 0.79 ITGB3 (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL14883359 0.79 ITGB3 (1.00) PTP4A3PPARGITGB3ITGAVMEN1
SCHEMBL12717644 0.77 ITGB3 (1.00) PTP4A3ITGB3ITGAVKDM4EMEN1
SCHEMBL16000777 0.75 ITGB3 (0.85) PTP4A3PPARGITGB3ITGAVMEN1

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-115651887-A Application of human normal corneal epithelial cells 武汉大学深圳研究院 2023-01-31 — — CN claimed
CN-222489541-U Defogging mechanism for ammonium sulfate crystal preparation 安徽金龙蒸发节能装备有限公司 2025-02-18 — — CN disclosed
CN-117457075-A Tea-oil tree variety identification method 四川大学 2024-01-26 — — CN disclosed
CN-116898828-A Application of aurantiol in preparing anti-novel coronavirus medicament 武汉大学深圳研究院 2023-10-20 — — CN disclosed
CN-115651887-A Application of human normal corneal epithelial cells 武汉大学深圳研究院 2023-01-31 — — CN disclosed
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