SCHEMBL3682233

SCHEMBL3682233

CC(=O)OOC(=O)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPK1 P28482 1/20 0.55
PAM P19021 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
AKR1B1 P15121 1/20 0.50
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
Benzene SCHEMBL9407299 0.89 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL664857 0.89 ALDH1A1 (0.65) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL2877979 0.83 ALDH1A1 (0.63) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL4966165 0.82 TSHR (0.58) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL248114 0.82 TSHR (0.58) TSHRALDH1A1L3MBTL1MAPK1PAM
Acetic Acid SCHEMBL28845782 0.80 TSHR (0.56) TSHRALDH1A1L3MBTL1MAPK1PAM
Ethane SCHEMBL10952941 0.80 TSHR (0.56) TSHRALDH1A1L3MBTL1MAPK1PAM
Acetic Acid SCHEMBL2343497 0.79 TSHR (0.51) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL17928599 0.78 ALDH1A1 (0.63) TSHRALDH1A1L3MBTL1MAPK1PAM
SCHEMBL2198522 0.78 LMNA (0.65) TSHRALDH1A1L3MBTL1MAPK1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116715572-A Synthesis method of o-hydroxyphenylacetic acid 常州大学 2023-09-08 CN claimed
US-7674943-B2 Solid, hydrocarbon-insoluble, catalyst component containing magnesium, titanium, and halogen, and further contains an internal electron donor which does not contain a phthalate derivative, for example, ethyl (phenylacetoxy)acetate; stereospecific polymerization; highly crystalline propylene polymers INEOS USA LLC (US) 2010-03-09 US claimed
US-7491781-B2 Propylene polymer catalyst donor component INEOS USA LLC (US) 2009-02-17 US claimed
CN-118702562-A Synthesis method of o-hydroxyphenylacetic acid 北京化工大学 2024-09-27 CN disclosed
CN-116715572-A Synthesis method of o-hydroxyphenylacetic acid 常州大学 2023-09-08 CN disclosed
CN-116715572-A Synthesis method of o-hydroxyphenylacetic acid 常州大学 2023-09-08 CN disclosed
EP-0768303-A1 OPTICALLY ACTIVE QUINOLINECARBOXYLIC ACID DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-04-16 EP disclosed