SCHEMBL9254035

SCHEMBL9254035

CC(=O)OC1C(OC(C)=O)C(OC(C)=O)C2C3C=CC(CC3)C2C1OC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRM2 P08172 4/20 0.33
MEN1 O00255 2/20 0.33
CYP2D6 P10635 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 2/20 0.33
CHRM1 P11229 2/20 0.33
PTPN1 P18031 2/20 0.33
APOBEC3A P31941 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM3 P20309 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
SCHEMBL9255108 0.89 POLB (0.37) POLBAPEX1TDP1TSHRPTPN1
SCHEMBL9259592 0.77 MEN1 (0.41) CHRM2MEN1CYP2D6KMT2ATSHR
SCHEMBL9259143 0.76 CA9 (0.37) POLBCYP2D6TSHRPTPN1ALDH1A1
SCHEMBL9257711 0.76 CHRM2 (0.42) CHRM2MEN1CYP2D6KMT2ACHRM1
SCHEMBL7154470 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A
SCHEMBL7151917 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A
SCHEMBL8329413 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A
SCHEMBL1266094 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A
SCHEMBL21510391 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A
SCHEMBL7152812 0.75 TSHR (0.44) POLBCHRM2MEN1CYP2D6KMT2A

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