SCHEMBL4734817

SCHEMBL4734817

C=Cc1ccc(C=O)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 3/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.36
TYR P14679 2/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
TUBB4A P04350 3/20 0.33
TUBB P07437 3/20 0.33
TUBA3C P0DPH7 3/20 0.33
TUBA1B P68363 3/20 0.33
TUBA4A P68366 3/20 0.33
TUBB4B P68371 3/20 0.33
TUBB3 Q13509 3/20 0.33
TUBB2A Q13885 3/20 0.33
TUBB8 Q3ZCM7 3/20 0.33
TUBA3E Q6PEY2 3/20 0.33
TUBA1A Q71U36 3/20 0.33
TUBA1C Q9BQE3 3/20 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
SCHEMBL3784501 0.88 KDM4E (0.50) KDM4ETDP1ALDH1A1TYRTRIM24
SCHEMBL31452766 0.83 ALDH1A1 (0.46) KDM4ETDP1TRPA1ALDH1A1TP53
SCHEMBL5126473 0.78 ALDH1A1 (0.45) TDP1TRPA1ALDH1A1TP53TYR
SCHEMBL23209631 0.78 TYR (0.48) KDM4ETRPA1ALDH1A1TYRTRIM24
SCHEMBL2135992 0.78 TRPA1 (0.48) KDM4ETDP1TRPA1ALDH1A1TP53
SCHEMBL31511495 0.77 ALDH1A1 (0.43) KDM4ETDP1TRPA1ALDH1A1TP53
SCHEMBL3783722 0.75 KDM4E (0.50) KDM4ETDP1ALDH1A1TYRTRIM24
SCHEMBL20607770 0.75 TYR (0.46) KDM4ETYRTRIM24TRIM33ERN1
SCHEMBL29951345 0.75 SRC (0.46) KDM4EALDH1A1TYRTRIM24TRIM33
SCHEMBL14797280 0.75 SRC (0.46) KDM4EALDH1A1TYRTRIM24TRIM33

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
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed