SCHEMBL6955832

SCHEMBL6955832

Cn1c(CCOc2ccc(CC(Oc3ccccc3)C(N)=O)cc2)nc2ccccc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 6/20 0.55
HDAC6 Q9UBN7 2/20 0.53
KDM4E B2RXH2 1/20 0.48
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PPARG P37231 8/20 0.48
PPARA Q07869 6/20 0.47
PPARD Q03181 3/20 0.47
HDAC8 Q9BY41 1/20 0.47
PDE10A Q9Y233 1/20 0.43
NPC1 O15118 1/20 0.43
ADRA1A P35348 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL6955022 0.91 HDAC6 (0.51) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6952370 0.85 PPARG (0.61) ACKR3HDAC6PPARGPPARAPPARD
SCHEMBL6955334 0.84 ACKR3 (0.52) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6952836 0.84 ACKR3 (0.50) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6555833 0.83 KDM4E (0.62) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL8305576 0.82 ACKR3 (0.49) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6956607 0.81 HTT (0.63) PPARGPPARANPC1
SCHEMBL6956510 0.80 HDAC6 (0.52) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6956676 0.80 ACKR3 (0.54) ACKR3HDAC6KDM4EALOX15TSHR
SCHEMBL6557982 0.80 L3MBTL1 (0.58) ACKR3HDAC6KDM4EALOX15TSHR

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-0903343-B1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP CO LTD (JP) 2003-05-28 EP disclosed
EP-0903343-A1 Alpha-Substituted phenylpropionic acid derivative and medicine containing the same SSP Co., Ltd. (JP) 1999-03-24 EP disclosed