SCHEMBL7202392

SCHEMBL7202392

C=CCCCCC(O)(CO)C(CCCCCCCCCCCCCC(C)C)OC(CCCCCCCCCCCCCC(C)C)C(O)(CO)CCCCC=C

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 2/20 0.33
USP2 O75604 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL93735 0.89 TSHR (0.44) CYP3A4ALDH1A1USP2MAPTHPGD
Alcohol SCHEMBL28225509 0.73 TSHR (0.50) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL2326413 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL104256 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL131602 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL9220719 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL2998034 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL399787 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL2936701 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1
SCHEMBL1904498 0.73 TSHR (0.52) CYP3A4MEN1ALOX15KMT2AALDH1A1

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
WO-2002041827-A9 METHODS EMPLOYING AND COMPOSITIONS CONTAINING DEFINED OXIDIZED PHOSPHOLIPIDS FOR PREVENTION AND TREATMENT OF ATHEROSCLEROSIS VASCULAR BIOGENICS LTD (IL) 2003-05-30 WO disclosed