SCHEMBL8668550

SCHEMBL8668550

O=C(O)c1cccc([CH]Cc2cccc(C(=O)O)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.62
FOLH1 Q04609 3/20 0.56
TTR P02766 3/20 0.50
FBP1 P09467 1/20 0.47
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
ANPEP P15144 1/20 0.46
ENPEP Q07075 1/20 0.46
P4HB P07237 1/20 0.45
MEP1B Q16820 1/20 0.45
KMT2A Q03164 1/20 0.45
NR4A2 P43354 1/20 0.45

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
SCHEMBL8589157 0.86 CYP4F2 (0.53) UNGFOLH1TTRCYP2C9MEP1B
SCHEMBL5070742 0.82 FOLH1 (0.63) UNGFOLH1CYP2D6CYP2C9HIF1A
SCHEMBL8367820 0.81 LOXL2 (0.60) FOLH1HIF1AP4HBKMT2A
SCHEMBL22227442 0.80 FOLH1 (0.61) FOLH1CYP2D6CYP2C9HIF1AANPEP
SCHEMBL7521628 0.80 UNG (0.69) UNGFOLH1TTRFBP1CYP2C9
SCHEMBL8717218 0.80 PARP1 (0.47) UNGFOLH1MEP1B
SCHEMBL715984 0.79 FOLH1 (0.59) UNGFOLH1CYP2D6CYP2C9HIF1A
Benzene SCHEMBL28254095 0.79 FOLH1 (0.59) UNGFOLH1CYP2D6CYP2C9HIF1A
SCHEMBL13821237 0.78 UNG (0.71) UNGFOLH1TTRCYP2D6CYP2C9
3-Formylbenzoic Acid SCHEMBL266698 0.77 UNG (1.00) UNGTTRFBP1CYP2C9P4HB

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
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 US disclosed
US-5610294-A VIRAL TREATMENT THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-03-11 US disclosed