SCHEMBL3345114

SCHEMBL3345114

Cc1cc(CC(=O)O)c2c(C)c(Cc3ccc(Cl)cc3)c(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.53
PLA2G2A P14555 2/20 0.51
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
LMNA P02545 3/20 0.41
HTT P42858 1/20 0.41
P2RX3 P56373 2/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RGS12 O14924 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL3344745 0.91 PTGDR2 (0.48) PTGDR2PLA2G2APTGESALOX5LMNA
SCHEMBL3345534 0.91 KDM4E (0.44) PTGDR2PLA2G2ALMNAHTTP2RX3
SCHEMBL3348106 0.85 PTGDR2 (0.49) PTGDR2PLA2G2APTGESALOX5LMNA
SCHEMBL3344376 0.85 PLA2G2A (0.55) PTGDR2PLA2G2AALOX5LMNAHTT
SCHEMBL3345040 0.81 PTGDR2 (0.39) PTGDR2PLA2G2ALMNAP2RX3ALDH1A1
SCHEMBL3345462 0.81 PLA2G2A (0.45) PTGDR2PLA2G2APTGESLMNAHTT
SCHEMBL3348857 0.76 PLA2G10 (0.46) PLA2G2AP2RX3ALDH1A1MAPTPKM
SCHEMBL3346140 0.75 PTGDR2 (0.38) PTGDR2LMNAP2RX3ALDH1A1MEN1
SCHEMBL3344758 0.75 PTGDR2 (0.51) PTGDR2ALDH1A1MEN1KMT2AMAPT
SCHEMBL5327554 0.74 PTGDR2 (0.81) PTGDR2LMNAALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed
WO-2010040989-A1 QUINOLIN-2-ONE COMPOUNDS ARGENTA ORAL THERAPEUTICS LIMITED (GB) 2010-04-15 WO disclosed