SCHEMBL29699768

SCHEMBL29699768

CCCCP(=O)(OCCC)OCC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.38
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LPAR3 Q9UBY5 3/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR2 Q9HBW0 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL779020 0.86 CYP3A4 (0.48) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL28228011 0.82 CYP3A4 (0.56) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL575326 0.80 PPARD (0.50) CYP3A4HPGDSMN1; SMN2TSHR
SCHEMBL29085263 0.78 LPAR3 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL2183356 0.78 LPAR3 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL5823678 0.78 LPAR3 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL5033156 0.78 LPAR3 (0.48) CYP3A4LPAR3LPAR1LPAR2
SCHEMBL575182 0.78 CYP3A4 (0.61) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL15250938 0.77 PPARD (0.47) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1
SCHEMBL575362 0.76 CYP3A4 (0.43) CYP3A4HPGDSMN1; SMN2LPAR3LPAR1

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
US-20220170904-A1 SYSTEMS AND METHODS FOR MONITORING BIOLOGICAL TISSUE DEGRADATION ARIZONA BOARD OF REGENTS ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2022-06-02 US disclosed