SCHEMBL28355678

SCHEMBL28355678

CCCCCCCCCCCCOP(=O)(OCC(CCC)CCCCC)ON(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LPAR3 Q9UBY5 8/20 0.38
LPAR2 Q9HBW0 5/20 0.38
LPAR1 Q92633 4/20 0.38
LMNA P02545 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
SMPD1 P17405 3/20 0.33
PTPN1 P18031 1/20 0.33
FDPS P14324 1/20 0.32

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
SCHEMBL28355871 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359533 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359506 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28355726 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359539 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359386 0.97 CYP3A4 (0.43) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359440 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28355779 0.96 CYP3A4 (0.46) CYP3A4L3MBTL1LPAR3LPAR2LPAR1
SCHEMBL28359325 0.85 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1LMNA
SCHEMBL28355521 0.85 LPAR3 (0.50) CYP3A4LPAR3LPAR2LPAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110791964-B Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-10-23 CN disclosed
CN-110791964-A Treating agent for elastic fiber and elastic fiber 竹本油脂株式会社 2020-02-14 CN disclosed