SCHEMBL31418693

SCHEMBL31418693

O=C(CNC(=O)CNC(=O)CNC(=O)OCc1ccccc1)NCC(=O)NCC(=O)NCC(=O)ON1C(=O)CCC1=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
TPSAB1 Q15661 2/20 0.47
TPSD1 Q9BZJ3 2/20 0.47
TPSG1 Q9NRR2 2/20 0.47
KDM1A O60341 1/20 0.45
RCOR1 Q9UKL0 1/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CASP1 P29466 1/20 0.44
ATM Q13315 1/20 0.44
PRSS1 P07477 1/20 0.44
MCHR1 Q99705 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 2/20 0.43
OPRK1 P41145 1/20 0.43
PREP P48147 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30442090 1.00 ALDH1A1 (0.51) ALDH1A1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL5352301 1.00 ALDH1A1 (0.51) ALDH1A1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL1412214 0.95 TPSAB1 (0.50) ALDH1A1TPSAB1TPSD1TPSG1LMNA
SCHEMBL20785502 0.92 ALDH1A1 (0.47) ALDH1A1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL19645166 0.84 SMN1; SMN2 (0.40) ALDH1A1TPSAB1TPSD1TPSG1LMNA
SCHEMBL10703021 0.84 ALDH1A1 (0.47) ALDH1A1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL9044348 0.83 ALDH1A1 (0.47) ALDH1A1CASP1
SCHEMBL12934822 0.83 ALDH1A1 (0.47) ALDH1A1TPSAB1TPSD1TPSG1KDM1A
SCHEMBL6420313 0.83 GAA (0.58) TPSAB1TPSD1TPSG1LMNASMN1; SMN2
SCHEMBL10633732 0.81 CYP1A2 (0.52) TPSAB1CASP1PRSS1PREP

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
WO-2025042899-A2 METHODS FOR IDENTIFYING COMPOUNDS BINDING TO A TARGET MOLECULE USING MIRROR-IMAGING OF THE TARGET MOLECULE X-CHEM, INC. (US) 2025-02-27 WO disclosed