SCHEMBL6769378

SCHEMBL6769378

COc1ccc(C2c3cc(F)cc(Cl)c3NC(C(=O)O)C2c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 4/20 0.41
EDNRB P24530 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
PTPN7 P35236 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
NR4A1 P22736 2/20 0.35
MEN1 O00255 1/20 0.35
PLA2G1B P04054 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
PAX8 Q06710 1/20 0.35
ALDH1A1 P00352 4/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL6769669 0.87 ALDH1A1 (0.43) SMN1; SMN2MAPTHTTPOLBMEN1
SCHEMBL6217804 0.70 HSPA1A (0.43) EDNRAEDNRBSMN1; SMN2MAPTPTPN7
SCHEMBL6640242 0.64 ALDH1A1 (0.51) EDNRAEDNRBNPC1MAPTRAB9A
SCHEMBL12488726 0.62 EDNRA (0.62) EDNRAEDNRBSMN1; SMN2NPC1MAPT
SCHEMBL12686733 0.62 EDNRA (0.62) EDNRAEDNRBSMN1; SMN2NPC1MAPT
SCHEMBL10013150 0.62 HPGD (0.54) EDNRAEDNRBNPC1RAB9APOLB
SCHEMBL23342993 0.61 ALDH1A1 (0.51) EDNRAEDNRBSMN1; SMN2MAPTRAB9A
SCHEMBL23297818 0.61 ALDH1A1 (0.51) EDNRAEDNRBSMN1; SMN2MAPTRAB9A
SCHEMBL29542982 0.61 ALDH1A1 (0.51) EDNRAEDNRBSMN1; SMN2MAPTRAB9A
SCHEMBL23297838 0.61 ALDH1A1 (0.51) EDNRAEDNRBSMN1; SMN2MAPTRAB9A

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-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed