SCHEMBL23850581

SCHEMBL23850581

C=C(CC(=O)OC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LMNA P02545 3/20 0.45
F2 P00734 1/20 0.45
TDP1 Q9NUW8 3/20 0.43
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPK1 P28482 3/20 0.42
MAPT P10636 3/20 0.42
POLB P06746 2/20 0.42
HIF1A Q16665 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL2611692 0.85 TSHR (0.58) TSHRLMNAF2TDP1KMT2A
SCHEMBL20215139 0.84 LMNA (0.46) TSHRLMNAF2TDP1KMT2A
SCHEMBL6253950 0.81 TSHR (0.54) TSHRLMNAF2TDP1KMT2A
SCHEMBL9578313 0.79 HPGD (0.61) TSHRLMNAF2TDP1KMT2A
SCHEMBL5164177 0.78 TSHR (0.55) TSHRLMNAF2TDP1KMT2A
SCHEMBL4645331 0.77 LMNA (0.52) TSHRLMNAF2TDP1KMT2A
SCHEMBL9318015 0.77 LMNA (0.56) TSHRLMNAF2TDP1KMT2A
SCHEMBL28088694 0.76 ALOX15 (0.46) ALDH1A1ALOX15
SCHEMBL17533546 0.76 TSHR (0.49) TSHRLMNAF2TDP1ALDH1A1
SCHEMBL30951020 0.75 MAOA (0.50) TSHRLMNATDP1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3884007-A1 ULTRAVIOLET RADIATION-CURED PRESSURE SENSITIVE ADHESIVES FROM PLANT OILS OR ANIMAL FATS Oregon State University (US) 2021-09-29 EP disclosed