SCHEMBL9257213

SCHEMBL9257213

COCOc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)O)O2

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.67
PTGS1 P23219 1/20 0.61
PTGS2 P35354 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
TSHR P16473 1/20 0.61
TTPA P49638 2/20 0.43
ALOX5 P09917 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE4A P27815 1/20 0.38
PDE3A Q14432 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
SCHEMBL8539760 0.89 PSEN1 (0.54) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL15854990 0.89 PSEN1 (0.54) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL10074168 0.86 PSEN1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1286095 0.85 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL1286094 0.85 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8994749 0.85 PTGS1 (0.69) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL8542595 0.84 PSEN1 (0.48) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9058729 0.83 PSEN1 (0.63) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL9314887 0.82 PSEN1 (0.51) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14948954 0.81 PSEN1 (0.67) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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
US-5315017-A Peroxidation and eicosanoid biosynthesis inhibition ADIR ET COMPAGNIE (FR) 1994-05-24 US disclosed