SCHEMBL4628056

SCHEMBL4628056

Cc1cc(C(=O)O)c(C(=O)O)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 4/20 0.46
TSHR P16473 3/20 0.46
POLB P06746 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 1/20 0.45
CASP1 P29466 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
AKR1C2 P52895 2/20 0.43
AKR1C1 Q04828 2/20 0.43
AKR1C4 P17516 1/20 0.43
AKR1C3 P42330 1/20 0.43
MYC P01106 1/20 0.43
NR4A1 P22736 1/20 0.43
NOTUM Q6P988 1/20 0.43
CTSB P07858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29087117 0.98 SORT1 (0.45) SORT1TSHRPOLBKDM4EHPGD
SCHEMBL92141 0.88 CA12 (0.50) TSHRPOLBKDM4EHPGDHSD17B10
SCHEMBL18432608 0.88 KDM4E (0.44) TSHRKDM4EHPGDHSD17B10GAA
SCHEMBL28621044 0.88 ALDH1A1 (0.43) SORT1TSHRPOLBKDM4EHPGD
SCHEMBL8340285 0.88 ALDH1A1 (0.48) SORT1TSHRPOLBKDM4EHPGD
SCHEMBL30596154 0.88 SORT1 (0.40) SORT1TSHRPOLBKDM4EHPGD
SCHEMBL7191040 0.87 ALDH1A1 (0.58) SORT1TSHRKDM4EHSD17B10GAA
SCHEMBL7171606 0.85 CA1 (0.53) TSHRKDM4EHPGDHSD17B10GAA
SCHEMBL13171240 0.84 ALDH1A1 (0.48) SORT1TSHRPOLBKDM4EHPGD
SCHEMBL30294917 0.83 LCK (0.48) SORT1TSHRKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813468-A 4-halogeno-5-substituted phthalic acid and preparation method thereof 中国石油化工股份有限公司 2023-09-29 CN disclosed
CN-116803970-A 6,6' -disubstituted-3, 3', 4' -biphenyl tetracarboxylic acid and dianhydride thereof and preparation method thereof 中国石油化工股份有限公司 2023-09-26 CN disclosed
CN-116789543-A Preparation method of 4-halogenated-5-substituted phthalic acid and product and application thereof 中国石油化工股份有限公司 2023-09-22 CN disclosed
EP-1209172-B1 SOLID CATALYST COMPONENT AND CATALYST FOR OLEFIN POLYMERIZATION TOHO TITANIUM CO LTD (JP) 2008-07-02 EP disclosed
US-4302396-A INTERMEDIATES FOR DYES MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1981-11-24 US disclosed