SCHEMBL10397286

SCHEMBL10397286

CCC(C)OC(=O)c1ccc(O)c(Sc2cc(C(=O)OC(C)CC)ccc2O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MEN1 O00255 2/20 0.60
LMNA P02545 2/20 0.60
TP53 P04637 2/20 0.60
MAPT P10636 2/20 0.60
HPGD P15428 2/20 0.60
ALOX15 P16050 2/20 0.60
ALOX12 P18054 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
CA12 O43570 5/20 0.50
CA1 P00915 5/20 0.50
CA2 P00918 5/20 0.50
CA7 P43166 5/20 0.50
CA9 Q16790 5/20 0.50
CA14 Q9ULX7 5/20 0.50
PTPN1 P18031 1/20 0.43

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
SCHEMBL10397300 0.84 CA12 (0.70) KDM4EMEN1LMNATP53MAPT
SCHEMBL38649 0.84 CA12 (0.70) KDM4EMAPTALDH1A1CA12CA1
SCHEMBL10398689 0.84 ALDH1A1 (0.52) KDM4EMEN1LMNATP53MAPT
SCHEMBL10398430 0.84 ALDH1A1 (0.52) KDM4EMEN1LMNATP53MAPT
SCHEMBL10397941 0.84 ALDH1A1 (0.52) KDM4EMEN1LMNATP53MAPT
SCHEMBL1965809 0.79 CA12 (0.53) KDM4ELMNAMAPTALOX15ALOX12
SCHEMBL10398469 0.78 CA12 (0.70) KDM4EMEN1LMNATP53MAPT
SCHEMBL10398443 0.78 CA12 (0.49) KDM4EALDH1A1SMN1; SMN2CA12CA1
SCHEMBL10397923 0.78 ALDH1A1 (0.62) KDM4EMEN1LMNATP53MAPT
SCHEMBL9724886 0.76 CA12 (0.67) MEN1LMNAMAPTALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4965395-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1990-10-23 US disclosed
EP-0224592-B1 P-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-11-15 EP disclosed
EP-0224592-A1 p-HYDROXYBENZOIC ACID DERIVATIVES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1987-06-10 EP disclosed