SCHEMBL1769439

SCHEMBL1769439

CCOC(=O)C1(c2ccc([N+](=O)[O-])cc2F)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.47
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ OPRM1 P35372 1/20 0.40
▸ CACNA1C Q13936 2/20 0.40
▸ CACNA1F O60840 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ CACNA1D Q01668 1/20 0.40
▸ CACNA1S Q13698 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL6827458 0.85 MAPT (0.47) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL6607686 0.82 MAPT (0.41) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL31572373 0.81 NPSR1 (0.39) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL31572381 0.79 OPRM1 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1769552 0.79 OPRM1 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL1769341 0.79 LMNA (0.64) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL23671545 0.77 SMN1; SMN2 (0.51) ALDH1A1MAPTKMT2AMEN1SMN1; SMN2
SCHEMBL38658393 0.75 MAPT (0.59) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL12185589 0.74 OPRM1 (0.41) MAPTKMT2AMEN1SMN1; SMN2OPRM1
SCHEMBL12273135 0.74 LMNA (0.68) ALDH1A1MAPTLMNAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025092985-A1 PHOSPHODIESTERASE 4B INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 合肥医工医药股份有限公司 2025-05-08 — — WO disclosed
WO-2011061760-A1 NOVEL ANTITHROMBOTIC AGENTS CADILA HEALTHCARE LIMITED (IN) 2011-05-26 — — WO disclosed
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