SCHEMBL8538798

SCHEMBL8538798

COc1cc(CN2CCN(C(=S)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)cc(OC)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
CYP3A4 P08684 3/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 3/20 0.42
KDM4E B2RXH2 3/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALOX15 P16050 2/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ACHE P22303 2/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 2/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL8543959 0.88 CYP2C9 (0.43) TSHRCYP3A4CYP2C9KDM4EKMT2A
SCHEMBL8541237 0.86 CYP2C19 (0.43) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL8545725 0.75 PTGS1 (0.48) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL9266621 0.75 CYP3A4 (0.46) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL8543445 0.75 CYP2C19 (0.45) TSHRCYP1A2KDM4EKMT2AMEN1
SCHEMBL10346356 0.74 SMN1; SMN2 (0.45) TSHRCYP2C9KDM4EKMT2AMEN1
SCHEMBL9010118 0.72 PTGS1 (0.55) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL8544837 0.72 CYP3A4 (0.52) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL2059447 0.72 TSHR (0.55) TSHRCYP3A4PTGS1PTGS2CYP1A2
SCHEMBL8539212 0.71 CYP3A4 (0.47) TSHRCYP3A4PTGS1PTGS2CYP1A2

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