SCHEMBL4772679

SCHEMBL4772679

CCC(Oc1ccc(Cl)c2[nH]cc(Cc3ccc(Cl)cc3)c(=O)c12)C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
P2RX3 P56373 7/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TNF P01375 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HPGD P15428 1/20 0.33
ALOX12 P18054 1/20 0.33
CCR6 P51684 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
HKDC1 Q2TB90 1/20 0.33

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
SCHEMBL4777706 0.81 NPC1 (0.43) MAPTLMNATP53NPC1RAB9A
SCHEMBL4779946 0.81 NPC1 (0.35) MAPTLMNATP53NPC1RAB9A
SCHEMBL21381326 0.70 SMN1; SMN2 (0.57) MAPTLMNAMAPK1SMN1; SMN2POLB
SCHEMBL3777793 0.67 HPGD (0.39) MAPTSMN1; SMN2GAAP2RX3KDM4E
SCHEMBL21129084 0.67 CYP1A2 (0.56) KLK7
SCHEMBL25997018 0.67 CYP1A2 (0.56) KLK7
SCHEMBL28257746 0.66 TSHR (0.55) MAPTLMNATP53NPC1RAB9A
SCHEMBL4667788 0.66 PPARA (0.39) MAPTLMNATP53NPC1RAB9A
SCHEMBL14121874 0.66 CYP4F2 (0.49) LMNANPC1RAB9ASMN1; SMN2POLB
SCHEMBL14121873 0.66 CYP4F2 (0.49) LMNANPC1RAB9ASMN1; SMN2POLB

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
EP-1928457-A2 QUINOLINES AND THEIR THERAPEUTIC USE Argenta Discovery Limited (GB) 2008-06-11 EP disclosed
WO-2007036743-A2 QUINOLINES AND THEIR THERAPEUTIC USE ARGENTA DISCOVERY LIMITED (GB) 2007-04-05 WO disclosed