SCHEMBL24660419

SCHEMBL24660419

C=CCCCNC(=O)OCC=C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.49
HRH3 Q9Y5N1 2/20 0.49
ACHE P22303 8/20 0.42
MAPT P10636 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ERN1 O75460 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TGM2 P21980 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL15109209 0.92 ALDH1A1 (0.46) HRH4HRH3ACHEMAPTERN1
SCHEMBL3676772 0.90 TGM2 (0.46) ACHEERN1TGM2TSHR
SCHEMBL13055388 0.87 MAPT (0.42) HRH4HRH3ACHEMAPTCACNA1B
SCHEMBL15809690 0.86 ACHE (0.46) HRH4HRH3ACHEERN1TGM2
SCHEMBL4678545 0.86 ACHE (0.41) HRH4HRH3ACHEMAPTCACNA1B
SCHEMBL14458909 0.85 ERN1 (0.41) HRH4HRH3ACHEERN1ALDH1A1
SCHEMBL9547242 0.85 ERN1 (0.40) HRH4HRH3ACHEMAPTCACNA1B
SCHEMBL23225642 0.85 ACHE (0.48) HRH4HRH3ACHEALDH1A1LMNA
SCHEMBL8769203 0.85 ACHE (0.63) ACHETSHR
SCHEMBL8833233 0.85 ACHE (0.40) HRH4HRH3ACHEMAPTCACNA1B

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-2022178592-A1 SOLID PHASE SYNTHESIS OF GLUTAMATE-UREA-LYSINE DERIVED (GUL DERIVED) PROSTATE-SPECIFIC MEMBRANE ANTIGEN (PSMA) TARGETING CONJUGATES AND THEIR USE AS PRECURSORS FOR THERAPEUTIC AND / OR DIAGNOSTIC AGENTS Telix International Pty Ltd (AU) 2022-09-01 WO disclosed