SCHEMBL20043786

SCHEMBL20043786

COC(=O)c1cc(C(=O)CO)cc(C(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.49
LMNA P02545 2/20 0.46
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
XDH P47989 2/20 0.42
NFKB1 P19838 1/20 0.42
GFER P55789 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
FUT7 Q11130 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 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
SCHEMBL18718093 0.88 CA12 (0.54) HSD17B10LMNACA12CA1CA2
SCHEMBL14682706 0.88 CA1 (0.54) HSD17B10LMNACA12CA1CA2
SCHEMBL9963707 0.86 HSD17B10 (0.52) HSD17B10LMNACA12CA1CA2
SCHEMBL14200326 0.84 CA1 (0.54) HSD17B10LMNACA12CA1CA2
SCHEMBL6916487 0.84 FABP3 (0.41) KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL14421788 0.81 CA12 (0.68) HSD17B10LMNACA12CA1CA2
SCHEMBL16950320 0.80 SLC7A5 (0.46) HSD17B10LMNACA12CA1CA2
SCHEMBL21032129 0.79 ALDH1A1 (0.47) HSD17B10LMNACA12CA1CA2
SCHEMBL12548744 0.79 CYP4A11 (0.46) HSD17B10LMNACA12CA1CA2
SCHEMBL15855009 0.79 CA12 (0.46) HSD17B10LMNACA12CA1CA2

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-20180101100-A1 TREATMENT LIQUID AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2018-04-12 US disclosed