SCHEMBL28612459

SCHEMBL28612459

CCOc1ccccc1C(=O)O.CCOc1ccccc1C(=O)O.O=C(O)Oc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
KDM4E B2RXH2 5/20 0.56
HSD17B10 Q99714 3/20 0.56
HPGD P15428 2/20 0.56
ESR1 P03372 2/20 0.56
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
HMGB1 P09429 1/20 0.56
TSHR P16473 1/20 0.56
GGT1 P19440 1/20 0.56
PTGS1 P23219 1/20 0.56
PTGS2 P35354 1/20 0.56
BLM P54132 1/20 0.56
NAPRT Q6XQN6 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KMT2A Q03164 4/20 0.53
PTK2B Q14289 1/20 0.53
HCRTR1 O43613 2/20 0.53
HTT P42858 2/20 0.51
MEN1 O00255 3/20 0.50

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
SCHEMBL236723 1.00 ALDH1A1 (0.59) ALDH1A1KDM4EHSD17B10HPGDESR1
SCHEMBL124831 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDESR1
Benzene SCHEMBL27314454 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDESR1
SCHEMBL238745 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDESR1
SCHEMBL28443255 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDESR1
SCHEMBL31012416 0.88 ALDH1A1 (0.65) ALDH1A1KDM4EHSD17B10HPGDESR1
Hydrochloric Acid SCHEMBL3529351 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDESR1
Bicarbonate SCHEMBL21812140 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDESR1
SCHEMBL11412997 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDESR1
Bicarbonate SCHEMBL237486 0.87 ALDH1A1 (0.62) ALDH1A1KDM4EHSD17B10HPGDESR1

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-114746488-A Films with special properties 科思创知识产权两合公司 2022-07-12 CN disclosed
CN-114650915-A Layer structure with modified structure and production thereof 科思创知识产权两合公司 2022-06-21 CN disclosed
CN-108290820-B Method for recovering aromatic alcohol from melt polymerization and system for recovering same 沙特基础工业全球技术有限公司 2021-10-01 CN disclosed
CN-113242795-A Plastic film with high opacity and low transparency for identification documents with transparent window 科思创知识产权两合公司 2021-08-10 CN disclosed
CN-113056369-A Method for producing a laminate comprising electronic components and/or functional units 科思创知识产权两合公司 2021-06-29 CN disclosed