SCHEMBL28033399

SCHEMBL28033399

COC(=O)c1ccc(C(=O)OC)cc1.O=Cc1ccc(C=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 1.00
CA1 P00915 3/20 0.59
CA2 P00918 3/20 0.59
TDP1 Q9NUW8 1/20 0.59
CA12 O43570 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
PTPN1 P18031 1/20 0.56
MAPT P10636 4/20 0.56
TSHR P16473 1/20 0.56
NPC1 O15118 2/20 0.53
GRIN2D O15399 1/20 0.53
GRIN3B O60391 1/20 0.53
GRIN1 Q05586 1/20 0.53
GRIN2A Q12879 1/20 0.53
GRIN2B Q13224 1/20 0.53
GRIN2C Q14957 1/20 0.53
GRIN3A Q8TCU5 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL79533 1.00 ALDH1A1 (1.00) ALDH1A1CA1CA2TDP1CA12
SCHEMBL14789231 0.94 ALDH1A1 (0.89) ALDH1A1CA1CA2TDP1CA12
SCHEMBL2389679 0.94 ALDH1A1 (0.89) ALDH1A1CA1CA2TDP1CA12
SCHEMBL4598157 0.91 ALDH1A1 (0.82) ALDH1A1CA1CA2TDP1CA12
SCHEMBL13244579 0.91 ALDH1A1 (0.82) ALDH1A1CA1CA2TDP1CA12
SCHEMBL15160947 0.89 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12
SCHEMBL15373867 0.89 ALDH1A1 (0.79) ALDH1A1CA1CA2MAPTNPC1
Ether SCHEMBL2323090 0.89 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12
SCHEMBL7793518 0.89 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12
SCHEMBL4408966 0.89 ALDH1A1 (0.79) ALDH1A1CA1CA2TDP1CA12

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-104945618-B Schiff base copolymer serving salicylaldehyde as tail end sealing group and preparation method thereof 兰州理工大学 2017-02-01 CN disclosed
CN-104945618-A Schiff base copolymer serving salicylaldehyde as tail end sealing group and preparation method thereof UNIV LANZHOU TECH 2015-09-30 CN disclosed