SCHEMBL3929544

SCHEMBL3929544

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.41
▸ AKT1 P31749 2/20 0.41
▸ CES1 P23141 6/20 0.39
▸ CES2 O00748 5/20 0.39
▸ MAPT P10636 4/20 0.37
▸ GPR52 Q9Y2T5 1/20 0.37
▸ LMNA P02545 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ ERCC5 P28715 1/20 0.35
▸ FEN1 P39748 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
SCHEMBL3929546 1.00 ATM (0.41) ATMAKT1CES1CES2MAPT
SCHEMBL19801506 0.86 ATM (0.42) ATMAKT1CES1CES2MAPT
SCHEMBL7543555 0.86 ATM (0.42) ATMAKT1CES1CES2MAPT
SCHEMBL4385499 0.78 AKT1 (0.65) AKT1MAPTGPR52LMNARECQL
SCHEMBL11023830 0.78 AKT1 (0.65) AKT1MAPTGPR52LMNARECQL
SCHEMBL982306 0.73 ATM (0.42) ATMAKT1CES1CES2MAPT
SCHEMBL22403869 0.73 ATM (0.42) ATMAKT1CES1CES2MAPT
SCHEMBL2499404 0.73 ATM (0.42) ATMAKT1CES1CES2MAPT
SCHEMBL25145320 0.72 ATM (0.41) ATMAKT1CES1CES2MAPT
SCHEMBL19789042 0.72 ALDH1A1 (0.36) ATMMAPTKMT2ATDP1KDM4E

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-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 — — EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 — — WO disclosed
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