SCHEMBL27955447

SCHEMBL27955447

O=C(O)c1ccc(C(=O)O)c(O)c1.[NaH]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.64
MAPT P10636 4/20 0.64
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA7 P43166 4/20 0.64
CA9 Q16790 4/20 0.64
CA14 Q9ULX7 4/20 0.64
CA4 P22748 3/20 0.64
CA6 P23280 3/20 0.64
GAA P10253 2/20 0.64
POLB P06746 2/20 0.64
PTGS2 P35354 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
ALDH1A1 P00352 7/20 0.61
TSHR P16473 2/20 0.61
PTPN1 P18031 2/20 0.57
CYP3A4 P08684 1/20 0.57
ESR2 Q92731 1/20 0.57
HNF4A P41235 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
SCHEMBL31123406 0.98 KDM4E (0.67) KDM4EMAPTCA12CA1CA2
SCHEMBL193180 0.98 KDM4E (0.67) KDM4EMAPTCA12CA1CA2
SCHEMBL23501890 0.98 KDM4E (0.67) KDM4EMAPTCA12CA1CA2
SCHEMBL29112557 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
Ammonia Solution, Strong SCHEMBL28659889 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
SCHEMBL28163138 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
SCHEMBL29073103 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
Hydrochloric Acid SCHEMBL7545369 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
Ammonia Solution, Strong SCHEMBL32680101 0.95 KDM4E (0.64) KDM4EMAPTCA12CA1CA2
Paraben SCHEMBL28319626 0.90 CA12 (0.67) KDM4EMAPTCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805099-B Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2023-05-23 CN claimed
CN-114805099-A Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2022-07-29 CN claimed
CN-114805099-B Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2023-05-23 CN disclosed
CN-114805099-B Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2023-05-23 CN disclosed
CN-114805099-A Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2022-07-29 CN disclosed
CN-114805099-A Monohydroxy modified trans-PBO composite monomer and synthesis method thereof 浙江工业大学 2022-07-29 CN disclosed
CN-103773347-B Improve oil recovery factor surfactant composition and preparation method thereof SINOPEC CORP. (CN) 2016-02-10 CN disclosed
CN-103773347-A Surfactant combination for enhancing oil recovery and preparation method thereof CHINA PETROLEUM & CHEMICAL 2014-05-07 CN disclosed