SCHEMBL28020214

SCHEMBL28020214

O=C(O)c1cc(C(=O)O)c2c(O)cc(O)cc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CA3 P07451 1/20 0.42
SELL P14151 1/20 0.42
SELP P16109 1/20 0.42
FUT4 P22083 1/20 0.42
CA4 P22748 1/20 0.42

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
SCHEMBL31090352 0.82 MEN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL9503850 0.82 MEN1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL686591 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL29914372 0.78 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL3387947 0.74 HSD17B10 (0.53) CA12CA1CA2CA7CA9
SCHEMBL32681078 0.74 MEN1 (0.69) CA12CA1CA2CA7CA9
SCHEMBL10026215 0.70 PTPN1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL3390578 0.70 GRIN2D (0.51) CA12CA1CA2CA7CA9
SCHEMBL29386163 0.70 ANTXR2 (0.50) CA1CA2CA7CA9ALDH1A1
SCHEMBL704787 0.70 ANTXR2 (0.50) CA1CA2CA7CA9ALDH1A1

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
CN-104726237-A Yellow-spot-removing dry cleaning agent SHANGHAI PENGGANG IND DEV CO LTD 2015-06-24 CN disclosed