SCHEMBL8697270

SCHEMBL8697270

CC(=O)O[C@@H]1C=Cc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 1/20 0.38
RET P07949 2/20 0.36
HPGD P15428 1/20 0.34
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
BRD4 O60885 1/20 0.33
CCL2 P13500 1/20 0.33
MEN1 O00255 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
P2RX4 Q99571 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
SCHEMBL89374 1.00 POLB (0.49) POLBALDH1A1KDM4ERETHPGD
SCHEMBL8694188 1.00 POLB (0.49) POLBALDH1A1KDM4ERETHPGD
SCHEMBL28304038 0.98 POLB (0.47) POLBALDH1A1KDM4ERETHPGD
SCHEMBL6700611 0.85 POLB (0.39) POLBALDH1A1KDM4ERETKMT2A
SCHEMBL30931450 0.84 POLB (0.38) POLBALDH1A1KDM4ERETKMT2A
SCHEMBL17222502 0.83 POLB (0.37) POLBALDH1A1KDM4ERETHPGD
SCHEMBL459671 0.83 POLB (0.37) POLBALDH1A1KDM4ERETHPGD
SCHEMBL15664847 0.83 POLB (0.37) POLBALDH1A1KDM4ERETKMT2A
SCHEMBL28022821 0.82 POLB (0.39) POLBALDH1A1KDM4EHPGDKMT2A
SCHEMBL27926152 0.82 ALDH1A1 (0.38) POLBALDH1A1KDM4ERETHPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731464-A AZIDE INTERMEDIATES CHISSO CORPORATION (JP) 1998-03-24 US disclosed