SCHEMBL13299652

SCHEMBL13299652

Cc1c(CC(=O)O)c2cc(O)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 8/20 0.50
PLA2G1B P04054 1/20 0.50
PTGDR2 Q9Y5Y4 5/20 0.49
AKR1C3 P42330 2/20 0.48
AKR1C2 P52895 2/20 0.48
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
PMP22 Q01453 2/20 0.46
MEN1 O00255 1/20 0.46
RGS12 O14924 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL4543998 0.90 PLA2G2A (0.50) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL2003959 0.90 PLA2G2A (0.50) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL5444376 0.90 PTGDR2 (0.58) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL2005905 0.89 PLA2G2A (0.52) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL12255190 0.88 PLA2G2A (0.55) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL5435406 0.88 PLA2G2A (0.63) PLA2G2APLA2G1BPTGDR2THRATHRB
SCHEMBL2004754 0.87 PPARG (0.56) PLA2G2APLA2G1BPTGDR2ALOX5LMNA
SCHEMBL2007815 0.86 LMNA (0.58) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL2002065 0.86 PTGDR2 (0.53) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2
SCHEMBL2001190 0.85 AKR1C3 (0.52) PLA2G2APLA2G1BPTGDR2AKR1C3AKR1C2

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
WO-2010062221-A1 SUBSTITUTED 2-(5-HYDROXY-2-METHYL-1N-INDOLE-3-IL) ACETIC ACIDS AND ETHERS THEREOF AND THE USE OF SAME TO TREAT VIRAL DISEASES АЛЛА XEM, ЛЛС (US) 2010-06-03 WO disclosed