SCHEMBL16200096

SCHEMBL16200096

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.46
TAAR1 Q96RJ0 1/20 0.45
KDM4E B2RXH2 3/20 0.44
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.42
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
MAPT P10636 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
SCHEMBL8189899 0.86 KDM4E (0.49) MRGPRX4KDM4ELCKFYNALDH1A1
SCHEMBL20445888 0.86 TAAR1 (0.45) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13469242 0.85 LCK (0.58) KDM4ELCKFYNALDH1A1MEN1
SCHEMBL16200097 0.85 GAA (0.55) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1
SCHEMBL13469246 0.84 MAPT (0.49) KDM4ELCKFYNALDH1A1MEN1
SCHEMBL18309197 0.84 KDM4E (0.53) TAAR1KDM4ELCKFYNALDH1A1
SCHEMBL20507795 0.82 HPGDS (0.44) TAAR1ALDH1A1SMN1; SMN2KCNH2GAA
SCHEMBL3617721 0.82 ALDH1A1 (0.55) MRGPRX4KDM4ELCKFYNALDH1A1
SCHEMBL2730020 0.82 ALDH1A1 (0.49) MRGPRX4KDM4ELCKFYNALDH1A1
SCHEMBL13244501 0.81 GABRP (0.47) TAAR1KDM4EALDH1A1SMN1; SMN2MEN1

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