SCHEMBL8617043

SCHEMBL8617043

COc1cc(OC)c(NC(=O)NC(C)(C)C2c3ccccc3COc3ccccc32)c(OC)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.39
TSHR P16473 2/20 0.39
ATM Q13315 1/20 0.39
TBXAS1 P24557 1/20 0.39
MAPT P10636 5/20 0.38
NR3C1 P04150 1/20 0.37
LPAR1 Q92633 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SHMT2 P34897 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
TP53 P04637 1/20 0.35

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
SCHEMBL9331532 0.91 TBXA2R (0.39) TBXA2RTSHRATMTBXAS1MAPT
SCHEMBL8797527 0.73 TSHR (0.42) TBXA2RTSHRTBXAS1MAPTSMN1; SMN2
SCHEMBL8618759 0.73 TBXA2R (0.40) TBXA2RTSHRATMTBXAS1MAPT
SCHEMBL8618306 0.67 NR3C1 (0.45) TBXA2RTBXAS1NR3C1GAAALDH1A1
SCHEMBL12142430 0.66 HTR2A (0.43) TBXA2RNR3C1SMN1; SMN2KMT2A
SCHEMBL9088508 0.65 MAPK1 (0.50) TSHRMAPTGAAALDH1A1MEN1
SCHEMBL30165132 0.64 MAOB (0.43) TSHRMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL8797397 0.63 ALDH1A1 (0.49) TBXA2RTBXAS1MAPTGAAALDH1A1
SCHEMBL7511213 0.62 ALDH1A1 (0.51) TBXA2RMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL8797398 0.62 LPAR1 (0.49) TBXA2RTSHRMAPTLPAR1GAA

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
EP-0588608-B1 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO KK (JP) 1998-05-06 EP disclosed
EP-0588608-A2 Tricyclic compounds and pharmaceutical compositions containing them KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-03-23 EP disclosed