SCHEMBL9259592

SCHEMBL9259592

CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2C3CCC(CC3)C2C1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
CYP2D6 P10635 2/20 0.41
KMT2A Q03164 2/20 0.41
APOBEC3A P31941 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 5/20 0.39
CHRM1 P11229 3/20 0.39
CA9 Q16790 4/20 0.33
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CHRM4 P08173 2/20 0.32
CHRM3 P20309 2/20 0.32
TSHR P16473 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
SCHEMBL21642935 0.82 ALDH1A1 (0.49) MEN1CYP2D6KMT2AAPOBEC3ACTDSP1
SCHEMBL4366002 0.82 ALDH1A1 (0.49) MEN1CYP2D6KMT2AAPOBEC3ACTDSP1
SCHEMBL9257711 0.79 CHRM2 (0.42) MEN1CYP2D6KMT2AAPOBEC3ACTDSP1
SCHEMBL1266094 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL21510391 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7152812 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7154470 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL7151917 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL8329413 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2
SCHEMBL8358880 0.79 TSHR (0.44) MEN1CYP2D6KMT2AALDH1A1CHRM2

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
US-5422365-A Hydroxy, ether, and/or acyloxy substituted, saturated or partially unsaturated naphthalenes; for controlling insulin secretion ADIR ET COMPAGNIE (FR) 1995-06-06 US disclosed