SCHEMBL3712919

SCHEMBL3712919

CCOC(=O)c1cccc(-c2ccc(C#Cc3ccc(C=O)cc3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
ACACB O00763 1/20 0.47
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GALR1 P47211 1/20 0.44

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
SCHEMBL6472650 0.92 TP53 (0.61) TP53POLBHPGDALDH1A1LMNA
SCHEMBL20068150 0.83 TP53 (0.62) TP53POLBHPGDALDH1A1LMNA
SCHEMBL14714526 0.83 CA1 (0.53) TP53POLBHPGDALDH1A1LMNA
SCHEMBL4193217 0.81 TP53 (0.61) TP53POLBHPGDGALR1
SCHEMBL8463066 0.81 PLAU (0.51) TP53POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL29617015 0.80 TP53 (0.62) TP53POLBHPGDALDH1A1SMN1; SMN2
SCHEMBL5943767 0.79 TRIM24 (0.61) TP53POLBHPGDLMNASMN1; SMN2
SCHEMBL5863231 0.79 TP53 (0.56) TP53POLBHPGDALDH1A1LMNA
SCHEMBL1537537 0.78 NPC1 (0.60) TP53POLBHPGDALDH1A1LMNA
SCHEMBL2404818 0.78 NPC1 (0.59) TP53POLBHPGDALDH1A1SMN1; SMN2

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
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed
WO-2010100475-A1 HYDROXAMIC ACID DERIVATIVES AS GRAM-NEGATIVE ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2010-09-10 WO disclosed