SCHEMBL29778154

SCHEMBL29778154

CC(=O)OOc1ccccc1C.[Na]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 2/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RXRG P48443 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
HMGB1 P09429 1/20 0.40
GGT1 P19440 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
BLM P54132 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NOTUM Q6P988 1/20 0.40

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
SCHEMBL1957403 0.98 PTPN1 (0.44) PTPN1TDP1ALDH1A1HPGDTSHR
Hydrochloric Acid SCHEMBL1959411 0.96 PTPN1 (0.42) PTPN1TDP1ALDH1A1HPGDTSHR
SCHEMBL28568578 0.96 PTPN1 (0.42) PTPN1TDP1ALDH1A1HPGDTSHR
SCHEMBL11139550 0.82 POLB (0.46) PTPN1TDP1ALDH1A1HPGDKDM4E
SCHEMBL16058707 0.79 THRB (0.44) PTPN1TDP1ALDH1A1HPGDKDM4E
SCHEMBL649032 0.79 PTPN1 (0.43) PTPN1TDP1ALDH1A1HPGDTSHR
SCHEMBL29559021 0.78 MEN1 (0.41) TDP1ALDH1A1HPGDTSHRRXRA
SCHEMBL22833915 0.78 CA1 (0.54) ALDH1A1TSHRKDM4EHSD17B10HTT
SCHEMBL27623412 0.78 TSHR (0.50) TDP1ALDH1A1HPGDTSHRKDM4E
SCHEMBL16243498 0.77 TDP1 (0.43) TDP1ALDH1A1HPGDTSHRRXRA

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-114870751-A Continuous preparation system and method of o-methyl sodium phenoxyacetate 山东潍坊润丰化工股份有限公司 2022-08-09 CN disclosed
CN-114685264-A Preparation method of high-quality 2-methyl-4-chlorophenoxyacetic acid 山东潍坊润丰化工股份有限公司 2022-07-01 CN disclosed