SCHEMBL1387775

SCHEMBL1387775

O=C(O)C1Cc2ccccc2C1(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HDAC9 Q9UKV0 2/20 0.39
SIGMAR1 Q99720 1/20 0.39
AKR1C1 Q04828 1/20 0.38
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
KIF11 P52732 1/20 0.35
HDAC4 P56524 1/20 0.34

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
SCHEMBL9543849 0.85 KIF11 (0.44) MAPTHSD11B1KIF11
SCHEMBL11799039 0.80 AKR1C1 (0.40) GAAMAPTHDAC9SIGMAR1AKR1C1
SCHEMBL6071126 0.75 GAA (0.40) GAAMAPTLMNABLMSMN1; SMN2
SCHEMBL9527735 0.75 LMNA (0.42) GAAMAPTSIGMAR1LMNABLM
SCHEMBL7617882 0.73 SIGMAR1 (0.45) SIGMAR1
SCHEMBL7782470 0.71 KDM1A (0.43) SIGMAR1
SCHEMBL17273470 0.71 SIGMAR1 (0.38) GAAMAPTHDAC9SIGMAR1AKR1C1
SCHEMBL8410307 0.71 HDAC9 (0.44) GAAMAPTHDAC9HDAC4
SCHEMBL8409829 0.70 MAOB (0.40) GAAMAPTHDAC9LMNABLM
SCHEMBL3800430 0.70 GAA (0.36) GAAMAPTSIGMAR1LMNABLM

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
JP-H08510211-A 1996-10-29 JP claimed
EP-0699069-A4 1996-04-03 EP claimed
EP-0699069-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-03-06 EP claimed
WO-1994025013-A1 ENDOTHELIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1994-11-10 WO claimed