SCHEMBL28985676

SCHEMBL28985676

CCCCCCCCCCCC(N)(CCCCCC(C)C)CCCCCC(C)C.OP(O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 2/20 0.41
SMPD1 P17405 4/20 0.39
FDPS P14324 2/20 0.39
OPRM1 P35372 1/20 0.39
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
DNM1 Q05193 2/20 0.35
CYP2D6 P10635 2/20 0.35
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 1/20 0.35
GMNN O75496 1/20 0.35
POLB P06746 1/20 0.35
THPO P40225 1/20 0.35
MTOR P42345 1/20 0.35
BLM P54132 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
CETP P11597 1/20 0.35

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
SCHEMBL1627722 0.84 LMNA (0.43) LMNACYP3A4
SCHEMBL3853313 0.84 LMNA (0.43) LMNACYP3A4
SCHEMBL21565304 0.79 ACE2 (0.46) SPHK1SMPD1FDPSOPRM1LMNA
SCHEMBL30365998 0.78 SPHK1 (0.33) SPHK1SMPD1FDPSOPRM1LMNA
Hydroxyamine SCHEMBL5859455 0.77 SPHK1 (0.56) SPHK1OPRM1LMNATP53CYP2D6
SCHEMBL2865214 0.77 SMPD1 (0.50) SMPD1FDPSDNM1
SCHEMBL8403723 0.77 SMPD1 (0.50) SMPD1FDPSDNM1
SCHEMBL4974182 0.77 SMPD1 (0.50) SMPD1FDPSDNM1
SCHEMBL868284 0.77 SMPD1 (0.50) SMPD1FDPSDNM1
SCHEMBL640735 0.77 SMPD1 (0.50) SMPD1FDPSDNM1

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-115960667-A Ultra-long-life drive axle lubricating oil composition and preparation method thereof 中国石油天然气股份有限公司 2023-04-14 CN disclosed