SCHEMBL9601675

SCHEMBL9601675

CC(=O)Oc1cc2c(cc1OC(C)=O)CN(C(C)=O)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
TNFSF11 O14788 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.42
ABHD6 Q9BV23 1/20 0.40
TOP1 P11387 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA9 Q16790 2/20 0.38
CA12 O43570 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CFD P00746 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL9593768 0.82 TNFSF11 (0.44) KDM4EPOLBMAPTTNFSF11ALDH1A1
SCHEMBL16284216 0.82 ABHD6 (0.55) NOTUMKDM4EMAPTALDH1A1GAA
Bromide SCHEMBL9870594 0.81 MAOA (0.44) KDM4EPOLBMAPTTNFSF11ALDH1A1
SCHEMBL9826524 0.75 MAOA (0.62) TSHRMAPK1TDP1L3MBTL1MEN1
SCHEMBL17197346 0.75 NOTUM (0.46) NOTUMKDM4EPOLBALDH1A1GAA
SCHEMBL7277197 0.74 NOTUM (0.53) NOTUMKDM4EABHD6CA9HRH3
SCHEMBL16715040 0.74 PGR (0.49) KDM4EPOLBMAPTTNFSF11ALDH1A1
SCHEMBL21765692 0.74 NOTUM (0.57) NOTUMABHD6TDP1MEN1KMT2A
SCHEMBL6275593 0.73 TNFSF11 (0.67) KDM4EMAPTTNFSF11ALDH1A1GAA
SCHEMBL9202003 0.72 KDM4E (0.46) KDM4EPOLBMAPTTNFSF11ALDH1A1

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
EP-0227986-B1 ISOINDOLINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-03-24 EP disclosed