SCHEMBL6201678

SCHEMBL6201678

CCC(c1cc(F)c2ncc(C(=O)NCc3ccc(Cl)cc3)c(O)c2c1)C(C)(C)C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
PPARA Q07869 2/20 0.36
S1PR3 Q99500 1/20 0.36
P2RX3 P56373 3/20 0.36
LMNA P02545 2/20 0.35
NR3C1 P04150 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
PPARG P37231 2/20 0.34
EPHX2 P34913 1/20 0.33
THRB P10828 1/20 0.33
CNR2 P34972 2/20 0.33
ACVR1B P36896 1/20 0.33
TGFBR1 P36897 1/20 0.33
ACVRL1 P37023 1/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 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
SCHEMBL6199942 0.86 NR3C1 (0.39) PPARALMNANR3C1EGLN1PPARG
SCHEMBL6201682 0.83 GAA (0.36) GAAPPARAS1PR3P2RX3LMNA
SCHEMBL6200591 0.83 BRD4 (0.36) GAAPPARAS1PR3P2RX3LMNA
SCHEMBL6671910 0.81 P2RX3 (0.36) GAAS1PR3P2RX3LMNANR3C1
SCHEMBL6667062 0.79 POLB (0.37) GAAS1PR3P2RX3LMNANR3C1
SCHEMBL6200596 0.77 BRD4 (0.37) GAAS1PR3P2RX3LMNAEGLN1
SCHEMBL6195418 0.76 TRPA1 (0.39) GAAS1PR3P2RX3LMNANR3C1
SCHEMBL6197770 0.74 PLAU (0.42) LMNANR3C1EGLN1CNR2
SCHEMBL6198141 0.73 EGLN1 (0.47) GAALMNANR3C1EGLN1CNR2
SCHEMBL6197930 0.73 POLB (0.45) GAAMAPTPOLB

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
EP-1042295-B1 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN CO LLC (US) 2005-09-07 EP claimed