SCHEMBL8649447

SCHEMBL8649447

COc1ccc2[nH]c(C)c(CCON=C(C)c3ccc(C(=O)O)cc3)c2c1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.36
PTPN5 P54829 1/20 0.35
APEX1 P27695 1/20 0.35
PPARG P37231 4/20 0.35
PPARA Q07869 4/20 0.35
SRD5A2 P31213 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PSMD14 O00487 1/20 0.33
RECQL P46063 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TTR P02766 1/20 0.33

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
SCHEMBL8646300 0.86 MAPT (0.36) NPC1PPARGPPARAPOLBMAPT
SCHEMBL8642692 0.84 ABCG2 (0.35) NPC1MRGPRX4PTPN5APEX1POLB
SCHEMBL8649266 0.84 SLC2A1 (0.36) APEX1POLBMAPTKDM4EPSMD14
SCHEMBL8889810 0.83 POLB (0.39) NPC1MRGPRX4POLBMAPTMTNR1A
SCHEMBL8643628 0.81 CNR1 (0.35) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5806535 0.81 POLB (0.41) MRGPRX4POLBMAPTMTNR1AMTNR1B
SCHEMBL5805625 0.80 PTGS2 (0.38) NPC1POLBMAPTMEN1KMT2A
SCHEMBL8892260 0.80 ABCG2 (0.33) NPC1POLBMAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL5805761 0.80 KRAS (0.43) MRGPRX4POLBMAPTMTNR1AMTNR1B
SCHEMBL998208 0.79 AKR1C2 (0.46) RAB9AMRGPRX4PPARGPOLBMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO claimed
US-5756531-A ANTIALLERGENS; ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-26 US disclosed
WO-1997041100-A1 IMINOXY DERIVATIVES OF INDOLE AND INDENE COMPOUNDS AS INHIBITORS OF PROSTAGLANDIN BIOSYNTHESIS ABBOTT LABORATORIES (US) 1997-11-06 WO disclosed