SCHEMBL11201468

SCHEMBL11201468

CCOc1c(C(=O)c2ccc(Cl)cc2)[nH]c(CC(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
PTGS2 P35354 4/20 0.40
ABCB11 O95342 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
ABCB1 P08183 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTGS1 P23219 2/20 0.36
MAOB P27338 1/20 0.36
SRD5A2 P31213 1/20 0.36
CHRNA7 P36544 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
SCHEMBL11201124 0.88 HPGD (0.43) MAPTHPGDPTGS2ABCB11LMNA
SCHEMBL11204089 0.80 RAB9A (0.43) MAPTHPGDPTGS2SMN1; SMN2LMNA
SCHEMBL11196344 0.78 HPGD (0.43) MAPTHPGDPTGS2ABCB11ATM
SCHEMBL7678013 0.77 HPGD (0.45) MAPTHPGDPTGS2ABCB11SMN1; SMN2
SCHEMBL11202785 0.76 MAPT (0.39) MAPTHPGDSMN1; SMN2LMNAATM
SCHEMBL11202156 0.75 AKR1C3 (0.43) MAPTRAB9ASRD5A2
SCHEMBL7678233 0.73 MEN1 (0.45) MAPTHPGDPTGS2SMN1; SMN2LMNA
SCHEMBL8606636 0.72 ALDH1A1 (0.46) MAPTHPGDPTGS2SMN1; SMN2LMNA
SCHEMBL8604431 0.70 MAPT (0.46) MAPTHPGDPTGS2ABCB11LMNA
SCHEMBL11198928 0.69 LMNA (0.40) MAPTHPGDPTGS2ABCB11SMN1; SMN2

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-0072013-A1 Pyrrole compounds as anti-inflammatory and analgesic agents MERCK & CO. INC. (US) 1983-02-16 EP claimed