SCHEMBL3344745

SCHEMBL3344745

CCn1c(=O)c(Cc2ccc(Cl)cc2)c(C)c2c(CC(=O)O)cc(C)cc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.48
PLA2G2A P14555 1/20 0.44
P2RX3 P56373 5/20 0.39
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
RGS12 O14924 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
GNAI1 P63096 1/20 0.38

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
SCHEMBL3345114 0.91 PTGDR2 (0.53) PTGDR2PLA2G2AP2RX3ALDH1A1TSHR
SCHEMBL3345040 0.90 PTGDR2 (0.39) PTGDR2PLA2G2AP2RX3ALDH1A1TSHR
SCHEMBL3348106 0.88 PTGDR2 (0.49) PTGDR2PLA2G2AP2RX3ALDH1A1TSHR
SCHEMBL3348857 0.85 PLA2G10 (0.46) PLA2G2AP2RX3ALDH1A1TSHRKDM4E
SCHEMBL3345534 0.81 KDM4E (0.44) PTGDR2PLA2G2AP2RX3ALDH1A1TSHR
SCHEMBL3409928 0.80 ALDH1A1 (0.40) PLA2G2AP2RX3ALDH1A1TSHRKDM4E
SCHEMBL3346140 0.77 PTGDR2 (0.38) PTGDR2P2RX3ALDH1A1TSHRKDM4E
SCHEMBL3344758 0.77 PTGDR2 (0.51) PTGDR2ALDH1A1KDM4EHPGDMEN1
SCHEMBL3344376 0.76 PLA2G2A (0.55) PTGDR2PLA2G2AP2RX3TSHRLMNA
SCHEMBL5327554 0.76 PTGDR2 (0.81) PTGDR2ALDH1A1KDM4EHPGDHSD17B10

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