SCHEMBL27445171

SCHEMBL27445171

C#CCCCC(=O)OCC(C)(C)COC(=O)CCCC#C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.40
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
MAPT P10636 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CNR1 P21554 2/20 0.37
CNR2 P34972 1/20 0.37
CYP3A4 P08684 2/20 0.37
GSTP1 P09211 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 1/20 0.33
DGKA P23743 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL20502641 0.84 CNR1 (0.38) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL16013197 0.84 CYP2D6 (0.39) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL15466818 0.82 ALOX5 (0.35) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL24916787 0.81 CYP1A2 (0.38) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL15803975 0.81 GSTP1 (0.42) CYP1A2MAPTGSTP1L3MBTL1TSHR
SCHEMBL21942132 0.79 ALOX5 (0.34) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL18532385 0.79 CNR1 (0.35) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL14273632 0.79 CYP1A2 (0.55) PTGS2CYP1A2CYP2D6MAPTCYP2C9
SCHEMBL17411125 0.78 CYP1A2 (0.44) ALOX5PTGS1PTGS2CYP1A2CYP2D6
SCHEMBL19200083 0.78 CNR1 (0.44) ALOX5PTGS1PTGS2CYP1A2CYP2D6

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
EP-2964224-B1 POLYMER CONJUGATE FOR DELIVERY OF A BIOACTIVE AGENT POLYACTIVA PTY LTD (AU) 2024-07-03 EP disclosed