SCHEMBL7854232

SCHEMBL7854232

C=C(c1ccccc1)C(C)[O]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
XBP1 P17861 1/20 0.52
ATM Q13315 1/20 0.52
ALDH1A1 P00352 4/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CES2 O00748 3/20 0.40
CES1 P23141 3/20 0.40
TSHR P16473 2/20 0.40
DAO P14920 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
PGR P06401 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2B P18089 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL830415 0.81 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL693987 0.80 SMN1; SMN2 (0.50) SMN1; SMN2LMNAMAPTNPSR1XBP1
Hydrogen Sulfide SCHEMBL29028321 0.78 SMN1; SMN2 (0.48) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL3731992 0.78 LMNA (0.48) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL3383699 0.77 SMN1; SMN2 (0.59) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL4021295 0.76 LMNA (0.47) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL4662816 0.76 LMNA (0.47) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL15834917 0.76 SMN1; SMN2 (0.52) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL11798431 0.74 MAPT (0.45) SMN1; SMN2LMNAMAPTNPSR1XBP1
SCHEMBL8285027 0.74 LMNA (0.45) SMN1; SMN2LMNAMAPTNPSR1XBP1

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-0719258-B1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMA CO LTD (JP) 2001-10-31 EP disclosed
US-5786367-A OXYGEN SCAVENGERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-07-28 US disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed