SCHEMBL22824203

SCHEMBL22824203

CCC(C)OP(=O)(NC(C)C)OC

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
BCHE P06276 1/20 0.41
HIF1A Q16665 1/20 0.41
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 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
SCHEMBL22823955 0.79 ALDH1A1 (0.48) ALDH1A1BCHEHIF1AMMP1MMP2
SCHEMBL25915989 0.78 ALDH1A1 (0.57) ALDH1A1BCHEHIF1AMMP1MMP2
SCHEMBL3824231 0.72 TSHR (0.32) MMP1MMP2MMP3TSHR
SCHEMBL11220358 0.70 TP53 (0.33) MMP1MMP2MMP3
SCHEMBL86162 0.69 ALDH1A1 (0.46) ALDH1A1BCHEHIF1ACYP3A4HPGD
SCHEMBL13557334 0.68 MMP1 (0.38) MMP1MMP2MMP3
SCHEMBL485994 0.68 TSHR (0.36) MMP1MMP2MMP3CYP3A4TSHR
SCHEMBL9256494 0.66 CTSA (0.32)
SCHEMBL9961553 0.66
SCHEMBL28669001 0.66 ALDH1A1 (0.48) ALDH1A1BCHEHIF1A

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-2020252598-A1 RADIOLABELED COMPOUNDS TARGETING THE PROSTATE-SPECIFIC MEMBRANE ANTIGEN PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2020-12-24 WO disclosed