SCHEMBL9255923

SCHEMBL9255923

CC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)NCc1ccco1)O2

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.51
ALOX5 P09917 1/20 0.48
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
PDE4A P27815 1/20 0.42
PDE3A Q14432 1/20 0.42
MAPT P10636 1/20 0.41
PSEN1 P49768 4/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL9312754 0.92 TTPA (0.60) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9254601 0.84 PTGS1 (0.48) ALOX5MEN1KMT2AMAPTALDH1A1
SCHEMBL9255784 0.83 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9250111 0.79 TTPA (0.51) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9256965 0.79 TTPA (0.63) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9312898 0.78 PTGS1 (0.56) ALDH1A1
SCHEMBL9253856 0.78 TTPA (0.50) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9366614 0.78 TTPA (0.55) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9314038 0.76 TTPA (0.59) TTPAALOX5MEN1KMT2APDE4A
SCHEMBL9247724 0.75 TTPA (0.53) TTPAALOX5MEN1KMT2APDE4A

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