SCHEMBL7781820

SCHEMBL7781820

O=C1[N]C2(CCCCC2)Oc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
ATM Q13315 2/20 0.35
TSHR P16473 2/20 0.34
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HTT P42858 1/20 0.34
SIGMAR1 Q99720 1/20 0.33
IDO1 P14902 1/20 0.33
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 2/20 0.33
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL7781821 0.80 ALDH1A1 (0.43) ALDH1A1ATMKDM4EHTTLMNA
SCHEMBL7784334 0.72 ALDH1A1 (0.37) ALDH1A1ATMTSHRPKMKDM4E
SCHEMBL10603717 0.70 ALDH1A1 (0.54) ALDH1A1ATMTSHRPKMPOLB
SCHEMBL31217608 0.70 ALDH1A1 (0.54) ALDH1A1TSHRPKMKDM4ELMNA
SCHEMBL31217583 0.70 ALDH1A1 (0.54) ALDH1A1TSHRPKMKDM4ELMNA
SCHEMBL31217551 0.70 ALDH1A1 (0.54) ALDH1A1TSHRPKMKDM4ELMNA
SCHEMBL31217616 0.70 ALDH1A1 (0.54) ALDH1A1TSHRPKMKDM4ELMNA
SCHEMBL27587 0.70 ALDH1A1 (0.54) ALDH1A1ATMTSHRPKMPOLB
SCHEMBL1115177 0.68 KDM4E (0.63) ALDH1A1ATMKDM4EHTTSIGMAR1
SCHEMBL7783228 0.68 ALDH1A1 (0.34) ALDH1A1ATMTSHRKDM4EHTT

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-0635488-B1 Novel process for preparing azetidinone compound and novel starting compound therefor TANABE SEIYAKU CO (JP) 2001-09-26 EP claimed
US-5550229-A REACTING SPECIFIED ALKANAMIDE WITH SUBSTITUTED AZETIDINONE IN PRESENCE OF BASE TANABE SEIYAKU CO., LTD. (JP) 1996-08-27 US claimed