SCHEMBL30280930

SCHEMBL30280930

CCc1c(C(=O)O)cc(C(=O)OC)cc1C1CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 5/20 0.37
ALDH1A1 P00352 4/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL30280874 0.95 HSD17B10 (0.37) HSD17B10KDM4EALDH1A1CA12CA1
SCHEMBL22696462 0.77 HSD17B10 (0.36) HSD17B10KDM4EALDH1A1CA12CA1
SCHEMBL30280735 0.77 MAPT (0.37) POLBMAPT
SCHEMBL28876061 0.77 MAPT (0.37) POLBMAPT
SCHEMBL27507003 0.77 KDM4E (0.47) HSD17B10KDM4EALDH1A1CA12CA1
SCHEMBL30280981 0.76 PDK2 (0.37) KDM4EALDH1A1LMNAPOLBTSHR
SCHEMBL30281000 0.76 HSD17B10 (0.39) HSD17B10KDM4EALDH1A1CA12CA1
SCHEMBL30280863 0.75 DRD2 (0.32) HSD17B10KDM4EALDH1A1TSHRMAPT
SCHEMBL12487977 0.74 PDK2 (0.38) HSD17B10KDM4EALDH1A1LMNAPOLB
SCHEMBL30280912 0.72 DRD2 (0.47) HSD17B10KDM4EALDH1A1LMNAPOLB

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed