SCHEMBL5044528

SCHEMBL5044528

COC(=O)c1ccc2oc(CCCc3cc4cc(C(=O)O)ccc4o3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
TP53 P04637 3/20 0.45
POLB P06746 1/20 0.45
THRB P10828 1/20 0.45
KDM4E B2RXH2 2/20 0.43
KDM6B O15054 1/20 0.43
KDM5C P41229 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43
KDM3A Q9Y4C1 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
LMNA P02545 1/20 0.40
CREBBP Q92793 1/20 0.40
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA6 P23280 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
SCHEMBL5034766 0.95 F2 (0.50) F2F10TP53POLBTHRB
SCHEMBL5032872 0.92 F2 (0.50) F2F10TP53POLBTHRB
SCHEMBL5032864 0.91 F2 (0.49) F2F10TP53POLBTHRB
SCHEMBL5027947 0.89 F2 (0.56) F2F10TP53POLBTHRB
SCHEMBL5034769 0.88 TBXAS1 (0.44) TBXAS1F2F10TP53POLB
SCHEMBL5030384 0.88 CYP4A11 (0.52) F2F10TP53POLBTHRB
SCHEMBL5673192 0.88 F2 (0.47) F2F10TP53POLBTHRB
SCHEMBL14386990 0.86 ALOX15 (0.45) F2F10TP53POLBTHRB
SCHEMBL6298871 0.85 F2 (0.49) F2F10TP53POLBTHRB
SCHEMBL5032866 0.85 TBXAS1 (0.43) TBXAS1F2F10TP53POLB

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
US-7417158-B2 Mycobacterium tuberculosis infection; protozoan pathogens; fungal pathogens THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-08-26 US disclosed