SCHEMBL8420396

SCHEMBL8420396

C=CCOc1ccc(CCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CYP2D6 P10635 1/20 0.44
PPARA Q07869 1/20 0.44
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 2/20 0.42
MAPT P10636 2/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
BCHE P06276 1/20 0.42
LMNA P02545 2/20 0.42

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
SCHEMBL23642842 0.95 LTA4H (0.50) LTA4HEPHX2CA12CA1CA2
SCHEMBL7927491 0.89 CA2 (0.47) LTA4HEPHX2CA12CA1CA2
SCHEMBL2150158 0.89 CA12 (0.50) CA12CA1CA2CA7CA9
SCHEMBL17226148 0.87 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL8418525 0.84 ALDH1A1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL19755176 0.83 ALDH1A1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL9259951 0.82 THRB (0.51) CA12CA1CA2CA7CA9
SCHEMBL8421877 0.82 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL2521425 0.81 CA12 (0.50) LTA4HCA12CA1CA2CA7
SCHEMBL9203324 0.80 CYP4F2 (0.50) LTA4HEPHX2PPARAALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025235719-A1 DIMERIC SMAC MIMETICS USEFUL IN HIV THERAPY VIIV HEALTHCARE COMPANY (US) 2025-11-13 WO disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed
EP-0409234-B1 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions CHISSO CORP (JP) 1994-02-16 EP disclosed
US-5164112-A Optical activity, ferroelectric, short response times CHISSO CORPORATION (JP) 1992-11-17 US disclosed
EP-0409234-A2 Alpha-hydroxyketone derivatives, liquid crystal compositions containing said derivatives, and liquid crystal devices using said compositions Chisso Corporation (JP) 1991-01-23 EP disclosed