SCHEMBL6529538

SCHEMBL6529538

c1cc2c(cc1[C@H]1CO1)OCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.65
CYP3A4 P08684 3/20 0.65
CYP2C19 P33261 2/20 0.65
TRPM8 Q7Z2W7 1/20 0.65
CYP2D6 P10635 1/20 0.65
CYP2C9 P11712 1/20 0.65
HPGD P15428 1/20 0.65
MAPK1 P28482 1/20 0.65
SMN1; SMN2 Q16637 1/20 0.65
MCL1 Q07820 1/20 0.65
MAPK9 P45984 2/20 0.55
HTT P42858 1/20 0.50
ALOX15B O15296 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PPARG P37231 3/20 0.47

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
SCHEMBL5156297 1.00 MAPT (0.65) MAPTCYP3A4CYP2C19TRPM8CYP2D6
SCHEMBL1526906 0.88 RAB9A (0.50) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL30384235 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL94518 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL30184024 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Sesamin SCHEMBL23045677 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL3498030 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL6704290 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL19313765 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6
Asarinin SCHEMBL29540276 0.79 MAPT (1.00) MAPTCYP3A4CYP2C19TRPM8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed