SCHEMBL8775706

SCHEMBL8775706

O=C(O)COCOCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
PAM P19021 1/20 0.48
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX15 P16050 1/20 0.45
AKR1B1 P15121 1/20 0.45
GRM5 P41594 1/20 0.44
SLC1A1 P43005 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPC1 O15118 2/20 0.42
KEAP1 Q14145 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL231282 0.90 TSHR (0.61) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL4226282 0.88 TSHR (0.58) TSHRPAMALDH1A1MAPK1L3MBTL1
Hydrochloric Acid SCHEMBL7053203 0.88 TSHR (0.58) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL1956559 0.84 TSHR (0.54) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL11402448 0.83 ALDH1A1 (0.59) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL223907 0.82 TSHR (0.78) TSHRALDH1A1SLC6A2SLC6A3LMNA
SCHEMBL4966266 0.82 NAAA (0.53) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL4963940 0.82 NAAA (0.53) TSHRPAMALDH1A1MAPK1L3MBTL1
SCHEMBL3543002 0.82 NAAA (0.53) TSHRPAMALDH1A1MAPK1L3MBTL1
Acetic Acid SCHEMBL28567289 0.82 ALDH1A1 (0.55) TSHRPAMALDH1A1MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804430-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-11-05 EP disclosed
US-5656662-A TREATING OR PREVENTING ATHEROSCLEROTIC DISORDERS, INHIBITING INFLAMMATORY CYTOKINES THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1997-08-12 US disclosed
US-5504107-A ANTICOAGULANTS, PREVENTING ATHEROSCLEROSIS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1996-04-02 US disclosed
WO-1995032194-A1 SYNTHESIS OF OPTICALLY PURE 4-ALKENYL- OR 4-ALKANYL-2-HYDROXYTETRONIC ACIDS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 1995-11-30 WO disclosed