SCHEMBL8544219

SCHEMBL8544219

Cc1c(C)c2c(c(C)c1O)CCC(C)(C(=S)NC(=N)N(C)C)O2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 1/20 0.54
MAPT P10636 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
GSTP1 P09211 1/20 0.38
TTPA P49638 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.38
THRB P10828 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACHE P22303 9/20 0.37
MAOB P27338 1/20 0.37
NR1I2 O75469 2/20 0.37
CAPN1 P07384 1/20 0.37
BCHE P06276 8/20 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
SCHEMBL9313494 0.87 PTGS1 (0.62) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9314146 0.84 PTGS1 (0.58) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8537102 0.82 TTPA (0.51) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9259264 0.80 PTGS1 (0.55) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL14520193 0.76 PTGS1 (0.68) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL2059460 0.76 PTGS1 (0.72) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL5770821 0.75 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8538274 0.75 PTGS1 (0.67) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL9263227 0.75 PTGS1 (0.50) PTGS1PTGS2CYP1A2CYP3A4TSHR
SCHEMBL8542430 0.74 PTGS1 (0.57) PTGS1PTGS2CYP1A2CYP3A4TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0587499-B1 Benzopyran compounds, process for their preparation and their use as cell protectors ADIR (FR) 1998-04-29 EP disclosed
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