SCHEMBL31495897

SCHEMBL31495897

C=C(C)C(=O)OC1CCCCC1OC(=O)C(CC)CCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.45
CA1 P00915 4/20 0.45
MAPK1 P28482 1/20 0.38
TSHR P16473 3/20 0.38
GAA P10253 1/20 0.33
XBP1 P17861 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NAAA Q02083 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
ADRA1A P35348 1/20 0.32
CHRNA4 P43681 1/20 0.32
HTR3A P46098 1/20 0.32
KCNH2 Q12809 1/20 0.32
USP2 O75604 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3181537 0.89 CA2 (0.56) CA2CA1MAPK1TSHRGAA
SCHEMBL3181529 0.89 CA2 (0.56) CA2CA1MAPK1TSHRGAA
SCHEMBL3186547 0.86 CA2 (0.56) CA2CA1MAPK1TSHRGAA
SCHEMBL3186549 0.86 CA2 (0.56) CA2CA1MAPK1TSHRGAA
SCHEMBL27759673 0.78 CA2 (0.44) CA2CA1MAPK1TSHRATM
SCHEMBL14354723 0.77 CA2 (0.59) CA2CA1MAPK1TSHRGAA
SCHEMBL28093842 0.76 CA2 (0.40) CA2CA1MAPK1NAAACHRM2
SCHEMBL4781371 0.76 CHRM2 (0.37) CA2CA1NAAACHRM2CHRM1
SCHEMBL733116 0.76 ALDH1A1 (0.42) TSHRATMCHRM2CHRM1CHRM3
SCHEMBL3908224 0.76 CA2 (0.54) CA2CA1MAPK1GAAXBP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4549150-A1 RESIN COMPOSITION FOR THREE-DIMENSIONAL PRINTING Cubicure GmbH (AT) 2025-05-07 EP claimed
EP-4549150-A1 RESIN COMPOSITION FOR THREE-DIMENSIONAL PRINTING Cubicure GmbH (AT) 2025-05-07 EP disclosed