SCHEMBL8336761

SCHEMBL8336761

Cc1cc(C(=O)c2ccc(F)cc2)[nH]c1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.39
▸ PTGS2 P35354 4/20 0.38
▸ PTGS1 P23219 4/20 0.38
▸ PTGDR2 Q9Y5Y4 1/20 0.38
▸ AGBL2 Q5U5Z8 1/20 0.37
▸ ABCB11 O95342 1/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ FLT3 P36888 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35

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
SCHEMBL3231863 0.88 PTGS2 (0.44) PTGS2PTGS1ABCB11SRD5A2AKR1C3
SCHEMBL8605251 0.83 MAPT (0.48) PTGS1SRD5A2MAPK1RXFP1AKR1C3
SCHEMBL8053596 0.83 GAA (0.44) PTGS2AGBL2ABCB11SRD5A2KDM4E
SCHEMBL8338116 0.77 ALOX15 (0.51) PTGS2ABCB11MEN1KMT2A
SCHEMBL9724259 0.75 ALDH1A1 (0.43) SRD5A2MEN1KMT2A
SCHEMBL10914752 0.74 GRM5 (0.39) GRM5PTGS2PTGS1AGBL2ABCB11
SCHEMBL3992020 0.73 ALDH1A1 (0.41) SRD5A2AKR1C3AKR1C2KDM4E
SCHEMBL7674517 0.73 LTA4H (0.43) PTGDR2SRD5A2LTA4H
SCHEMBL8606847 0.71 HDAC6 (0.43) MAPK1RXFP1AKR1C3TSHRMEN1
SCHEMBL11452308 0.71 CXCL8 (0.44) PTGS2PTGS1PTGDR2SRD5A2AKR1C3

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-5902858-A MELT KNEADING A POLYPROYLENE RESIN, AN ISOPRENE MONOMER AND A RADICAL POLYMERIZATION INITIATOR; CLOSED-CELL FOAMS; HIGH ELONGATIONAL MELT VISCOSITY; MOLDING MATERIALS; EXPANSION; LOW DENSITY; WORKABILITY KANEKA CORPORATION (JP) 1999-05-11 — — US disclosed
Send feedback