SCHEMBL31485403

SCHEMBL31485403

CCCCCCCCCCCCCCCCCCCCCCC(C[N+](C)(C)C)OP(=O)([O-])O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.47
SLC25A20 O43772 3/20 0.43
TP53 P04637 2/20 0.43
CYP2D6 P10635 2/20 0.43
TSHR P16473 2/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
THPO P40225 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SLC6A5 Q9Y345 1/20 0.43
FDPS P14324 3/20 0.43
S1PR2 O95136 5/20 0.41
S1PR1 P21453 5/20 0.41

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
SCHEMBL62053 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL4638950 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL905579 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL418811 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL60425 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL60847 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL2695073 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL632448 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL2693658 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR
SCHEMBL52689 1.00 SMPD1 (0.47) SMPD1SLC25A20TP53CYP2D6TSHR

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-119451386-A Hole transport layer, perovskite solar cell and preparation method 天合光能股份有限公司 2025-02-14 CN claimed