SCHEMBL13766971

SCHEMBL13766971

C=C(C)C(=O)OC1C2CCC(C2)C1OC(C)=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
CYP2D6 P10635 2/20 0.36
KMT2A Q03164 2/20 0.36
APOBEC3A P31941 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
CHRM2 P08172 5/20 0.34
CHRM1 P11229 3/20 0.34
CHRM4 P08173 2/20 0.34
CHRM3 P20309 2/20 0.34
TSHR P16473 3/20 0.33
ALOX15 P16050 1/20 0.32

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
SCHEMBL2759863 0.87 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL10064093 0.84 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL28908232 0.84 ALDH1A1 (0.34) ALDH1A1TSHR
SCHEMBL23493934 0.83 ALDH1A1 (0.37) ALDH1A1MEN1CYP2D6KMT2ACHRM2
SCHEMBL14866328 0.83 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL14148795 0.82 ALDH1A1 (0.42) ALDH1A1MEN1CYP2D6KMT2AAPOBEC3A
SCHEMBL18643994 0.81 KMT2A (0.37) ALDH1A1MEN1KMT2ATSHR
SCHEMBL20169575 0.78 MEN1 (0.47) ALDH1A1MEN1CYP2D6KMT2AAPOBEC3A
SCHEMBL27483006 0.77 APOBEC3A (0.36) ALDH1A1MEN1CYP2D6KMT2AAPOBEC3A
SCHEMBL21642935 0.77 ALDH1A1 (0.49) ALDH1A1MEN1CYP2D6KMT2AAPOBEC3A

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-2080774-A1 POLYMERIZABLE SULFONIC ACID ONIUM SALT AND RESIN JSR Corporation (JP) 2009-07-22 EP disclosed