SCHEMBL4777706

SCHEMBL4777706

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

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
P2RX3 P56373 13/20 0.39
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TNF P01375 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
SCHEMBL4772679 0.81 MAPT (0.47) NPC1LMNATP53MAPTRAB9A
SCHEMBL534117 0.80 P2RX3 (0.40) P2RX3
SCHEMBL534116 0.80 P2RX3 (0.40) P2RX3
SCHEMBL4779946 0.79 NPC1 (0.35) NPC1LMNATP53MAPTRAB9A
SCHEMBL3777364 0.71 SMN1; SMN2 (0.39) LMNAMAPT
SCHEMBL3777368 0.71 SMN1; SMN2 (0.39) LMNAMAPT
SCHEMBL3777793 0.70 HPGD (0.39) MAPTP2RX3
SCHEMBL11319078 0.69 EPHX2 (0.54) MAPTPPARGPPARA
SCHEMBL3773014 0.69 KDM4E (0.40) LMNAMAPT
SCHEMBL3772179 0.69 KDM4E (0.40) LMNAMAPT

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