SCHEMBL8775273

SCHEMBL8775273

CCCCCCC(OCc1ccccc1)(OC(C)=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CETP P11597 3/20 0.47
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MBOAT4 Q96T53 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EPHX2 P34913 1/20 0.39
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL28601399 0.80 MEN1 (0.40) ALDH1A1MEN1KMT2ATSHRTDP1
SCHEMBL133570 0.76 CETP (0.52) CETPALDH1A1MEN1KMT2AMBOAT4
SCHEMBL1614607 0.74 CETP (0.47) CETPALDH1A1MEN1KMT2AMBOAT4
E1501 SCHEMBL17600544 0.74 ALDH1A1 (0.79) CETPALDH1A1MEN1KMT2ACYP3A4
Dodecane SCHEMBL20972964 0.74 ALDH1A1 (0.79) CETPALDH1A1MEN1KMT2ACYP3A4
SCHEMBL1614849 0.74 CETP (0.47) CETPALDH1A1MEN1KMT2AMBOAT4
SCHEMBL28826330 0.73 PPARG (0.48) CETPALDH1A1TSHRGAAPPARG
SCHEMBL16459448 0.72 CETP (0.47) CETPALDH1A1MEN1KMT2AMBOAT4
SCHEMBL7451131 0.72 CETP (0.47) CETPALDH1A1MEN1KMT2AMBOAT4
SCHEMBL18140030 0.71 PPARG (0.44) CETPALDH1A1TSHRGAAPPARG

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