SCHEMBL9251567

SCHEMBL9251567

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1nccs1)O2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.47
ALOX5 P09917 2/20 0.47
PSEN1 P49768 6/20 0.41
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4A P27815 1/20 0.40
PDE3A Q14432 1/20 0.40
RAB9A P51151 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX15 P16050 2/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL9314098 0.90 TTPA (0.53) TTPAALOX5PSEN1ALDH1A1POLB
SCHEMBL9254284 0.84 TSHR (0.49) ALDH1A1POLBRAB9AALOX15TSHR
SCHEMBL9313757 0.80 MEN1 (0.49) TTPAALOX5PSEN1ALDH1A1POLB
SCHEMBL9250111 0.79 TTPA (0.51) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9253856 0.79 TTPA (0.50) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9255238 0.79 TTPA (0.50) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9253892 0.79 TTPA (0.50) TTPAALOX5PSEN1MEN1KMT2A
SCHEMBL9259100 0.77 TTPA (0.47) TTPAALOX5PSEN1ALDH1A1MEN1
SCHEMBL9312742 0.77 TSHR (0.56) ALDH1A1POLBRAB9AALOX15TSHR
SCHEMBL9255259 0.77 TTPA (0.48) TTPAALOX5PSEN1MEN1KMT2A

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