SCHEMBL9254423

SCHEMBL9254423

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1ccc3ccccc3c1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.47
ALOX5 P09917 2/20 0.46
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 1/20 0.42
PSEN1 P49768 5/20 0.41
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
CYP1A2 P05177 2/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36

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
SCHEMBL9314951 0.91 TTPA (0.52) TTPAALOX5KDM4EMEN1KMT2A
SCHEMBL9250111 0.88 TTPA (0.51) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL9265028 0.84 PTGS1 (0.51) KDM4EMEN1KMT2AMAPTCYP1A2
SCHEMBL9253856 0.82 TTPA (0.50) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL9257714 0.81 TTPA (0.48) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL9257662 0.81 TTPA (0.48) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL9250567 0.80 BCHE (0.44) TTPAALOX5MEN1KMT2APSEN1
SCHEMBL7836851 0.80 TTPA (0.51) TTPAALOX5MEN1KMT2AMAPT
SCHEMBL9250968 0.80 HTT (0.44) TTPAALOX5MEN1KMT2AMAPT
SCHEMBL9255238 0.80 TTPA (0.50) TTPAALOX5MEN1KMT2APSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5395834-A Antiarthritic agents or cardiovascular disorders ADIR ET COMPAGNIE (FR) 1995-03-07 US disclosed
US-5393775-A Administering a (2-chromanyl)alkylcarboxylic acid for disorders connected with peroxidation processes ADIR ET COMPAGNIE (FR) 1995-02-28 US disclosed
EP-0587499-A1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR ET COMPAGNIE (FR) 1994-03-16 EP disclosed