SCHEMBL29547149

SCHEMBL29547149

N#CCC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA6 P23280 1/20 0.47
CA9 Q16790 1/20 0.47
AKR1C3 P42330 2/20 0.46
FOLH1 Q04609 1/20 0.46
GSK3B P49841 1/20 0.45
KMO O15229 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KMT2A Q03164 1/20 0.44
NR4A2 P43354 1/20 0.44
UNG P13051 1/20 0.43
LDHA P00338 1/20 0.42
APEX1 P27695 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
SCHEMBL28241079 1.00 CA12 (0.47) CA12CA1CA2CA6CA9
SCHEMBL397191 0.92 GSK3B (0.50) GSK3BHPGDKMT2A
SCHEMBL30238599 0.84 KDM4E (0.47) GSK3BCYP1A2HPGDHSD17B10KMT2A
SCHEMBL21694387 0.84 KDM4E (0.47) GSK3BCYP1A2HPGDHSD17B10KMT2A
SCHEMBL26722630 0.82 ERCC5 (0.58) GSK3BKMONR4A2
SCHEMBL22313390 0.82 CES1 (0.56) GSK3BCYP1A2CYP2C9HPGDKMT2A
SCHEMBL136826 0.82 CES1 (0.56) GSK3BCYP1A2CYP2C9HPGDKMT2A
Isophthalic Acid SCHEMBL15571519 0.82 CA12 (0.65) CA12CA1CA2CA6CA9
SCHEMBL11769075 0.81 CA12 (0.52) CA12CA1CA2CA6CA9
SCHEMBL6752860 0.80 CES1 (0.54) GSK3BCYP1A2CYP2C9HPGDKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108693701-B Colored curable resin composition 住友化学株式会社 2023-07-04 CN disclosed
CN-112442284-B Isoindoline pigment and method for producing same 住友化学株式会社 2023-03-24 CN disclosed
CN-112521774-B Isoindoline pigment and method for producing same 住友化学株式会社 2022-07-08 CN disclosed
CN-108690372-B Isoindoline pigment and method for producing same 住友化学株式会社 2022-04-15 CN disclosed