SCHEMBL9258133

SCHEMBL9258133

CCOC(C)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=S)Nc1cc(C)cc(C)n1)O2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 8/20 0.36
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
TTPA P49638 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
PHGDH O43175 3/20 0.30

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
SCHEMBL9254414 0.84 PSEN1 (0.41) PSEN1LMNAHTTTTPACHRNB2
SCHEMBL9250373 0.84 PSEN1 (0.41) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL9258125 0.83 PSEN1 (0.45) PSEN1LMNAHTTTTPACHRNB2
SCHEMBL9254582 0.82 PSEN1 (0.44) PSEN1LMNAHTTTTPACHRNB2
SCHEMBL9259100 0.81 TTPA (0.47) PSEN1TTPAALOX5PTGS1PTGS2
SCHEMBL9255031 0.81 PSEN1 (0.50) PSEN1TTPACHRNB2CHRNB4CHRNA3
SCHEMBL9256806 0.80 PTGS1 (0.49) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9250207 0.79 PSEN1 (0.47) PSEN1LMNAHTTTTPAALOX5
SCHEMBL9313495 0.75 TTPA (0.44) PSEN1LMNAHTTTTPACHRNB2
SCHEMBL9251381 0.73 PSEN1 (0.45) PSEN1TTPAPTGS1PTGS2CYP1A2

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
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