SCHEMBL16200097

SCHEMBL16200097

CCc1cc(OC)c(Cl)cc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
HTT P42858 1/20 0.51
POLB P06746 1/20 0.45
HPGD P15428 4/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL7852678 0.87 GAA (0.56) GAAHTTPOLBHPGDKDM4E
SCHEMBL29127993 0.87 GAA (0.53) GAAHTTPOLBHPGDKDM4E
SCHEMBL13469255 0.86 KDM4E (0.59) GAAHTTPOLBHPGDKDM4E
SCHEMBL20445888 0.85 TAAR1 (0.45) GAAHTTKDM4EALDH1A1SMN1; SMN2
SCHEMBL16200096 0.85 MRGPRX4 (0.46) GAAHTTHPGDKDM4EALDH1A1
SCHEMBL13469256 0.85 KDM4E (0.46) GAAHTTPOLBHPGDKDM4E
SCHEMBL11068304 0.84 TAAR1 (0.50) GAAHTTPOLBKDM4ETAAR1
SCHEMBL8900419 0.82 GAA (0.72) GAAHTTPOLBHPGDKDM4E
SCHEMBL2476221 0.82 GAA (0.62) GAAHTTPOLBHPGDKDM4E
SCHEMBL20507795 0.81 HPGDS (0.44) GAAALDH1A1SMN1; SMN2TAAR1TSHR

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-1720545-B1 BICYCLIC AND BRIDGED NITROGEN HETEROCYCLES CHEMOCENTRYX INC (US) 2014-10-29 EP disclosed