SCHEMBL9417618

SCHEMBL9417618

CCCCCCCCCCCCCCCCCCON(CC(=O)O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 1/20 0.50
BLM P54132 1/20 0.50
TSHR P16473 3/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
JAK2 O60674 1/20 0.44
PAX8 Q06710 1/20 0.44
CYP3A4 P08684 2/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 1/20 0.44
CYSLTR2 Q9NS75 2/20 0.43
CYSLTR1 Q9Y271 2/20 0.43
MEN1 O00255 1/20 0.42
NR1I2 O75469 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
MAPT P10636 1/20 0.42
OPRK1 P41145 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
SCHEMBL9417494 1.00 PLA2G2A (0.50) PLA2G2ABLMTSHRLMNAALDH1A1
SCHEMBL27472697 0.81 LTA4H (0.42) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL11638360 0.81 NPC1 (0.45) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL27576865 0.80 ALDH1A1 (0.44) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL28170173 0.80 NPC1 (0.42) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL27794045 0.80 LTA4H (0.41) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL3352270 0.79 LTA4H (0.43) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL6002725 0.78 TSHR (0.49) PLA2G2ABLMTSHRLMNAALDH1A1
SCHEMBL11598815 0.78 LTA4H (0.40) TSHRLMNAALDH1A1NPC1RAB9A
SCHEMBL31061150 0.78 TSHR (0.49) PLA2G2ABLMTSHRLMNAALDH1A1

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-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 US disclosed