SCHEMBL9255314

SCHEMBL9255314

CCCCN(C(=S)C1(C)CCc2c(C)c(OC(C)=O)c(C)c(C)c2O1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 9/20 0.50
TTPA P49638 2/20 0.47
ALOX5 P09917 2/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PDE4A P27815 1/20 0.44
PDE3A Q14432 1/20 0.44
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPM8 Q7Z2W7 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
SCHEMBL9314914 0.91 PSEN1 (0.52) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9252690 0.87 TTPA (0.46) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9265495 0.85 PTGS1 (0.49) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9313634 0.80 MEN1 (0.50) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9314093 0.79 TTPA (0.47) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9257195 0.79 PSEN1 (0.47) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9314035 0.78 TTPA (0.47) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9268591 0.78 TTPA (0.43) PSEN1TTPAALOX5MEN1KMT2A
SCHEMBL9313955 0.78 PTGS1 (0.55) PSEN1TTPAALOX5CYP1A2CYP3A4
SCHEMBL9257210 0.75 PTGS1 (0.52) PSEN1TTPAALOX5CYP1A2CYP3A4

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