SCHEMBL31516111

SCHEMBL31516111

CCOC(=O)C(CC(C)C)C[PH](=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.36
CPA1 P15085 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CPB2 Q96IY4 1/20 0.33
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
LMNA P02545 2/20 0.32
PPID Q08752 1/20 0.31
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
SOAT1 P35610 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL8528855 0.82 HSD17B10 (0.35) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL7047118 0.82 HSD17B10 (0.35) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL13541257 0.78 CPA1 (0.44) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL13555039 0.78 CPA1 (0.44) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL17617124 0.78 CPA1 (0.44) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL31516115 0.76 ALDH1A1 (0.39) HSD17B10ALDH1A1LMNAALOX15MGAM
SCHEMBL2989325 0.76 SLC1A3 (0.50) CPA1MEN1KMT2AALDH1A1SLC1A3
SCHEMBL8530333 0.75 HSD17B10 (0.32) HSD17B10
SCHEMBL30295340 0.75 ALDH1A1 (0.41) HSD17B10CPA1MEN1NPC1KMT2A
SCHEMBL11902091 0.75 CPB2 (0.43) HSD17B10CPA1MEN1NPC1KMT2A

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
CN-119751501-A Symmetrical phosphinic acid compound, symmetrical phosphinic acid amino acid derivative, and preparation methods and application thereof 西交利物浦大学 2025-04-04 CN disclosed