SCHEMBL24524599

SCHEMBL24524599

C=CCC1CCC(=O)OC1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PRSS1 P07477 2/20 0.36
CTRC Q99895 2/20 0.36
F2 P00734 1/20 0.36
CA1 P00915 1/20 0.35
CA9 Q16790 1/20 0.35
CYP1A2 P05177 2/20 0.31
CYP19A1 P11511 1/20 0.30
ELANE P08246 1/20 0.30
CTSG P08311 1/20 0.30

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
SCHEMBL14882993 0.81 MEN1 (0.36) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL564052 0.73
SCHEMBL19336685 0.73 CA1 (0.41) CA1CA9CYP1A2
SCHEMBL27473079 0.68 CA1 (0.44) PRSS1CTRCF2CA1CA9
SCHEMBL1882147 0.67
SCHEMBL1365389 0.67 PRSS1 (0.41) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL6259490 0.66
SCHEMBL1414893 0.66 PRSS1 (0.40) MEN1ALDH1A1KMT2APRSS1CTRC
SCHEMBL13928221 0.65
SCHEMBL8575666 0.64 PRSS1 (0.39) MEN1ALDH1A1KMT2APRSS1CTRC

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-2022133280-A1 COMPOSITION FOR REVERSIBLE POLYMERIZATION OF THIOESTER AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-06-23 WO disclosed