SCHEMBL9065809

SCHEMBL9065809

COCCOCOc1cc(Cl)c(CC(=O)ONC(c2ccccc2)c2ccccc2)cc1OCOCCOC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 3/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.37
TAAR1 Q96RJ0 1/20 0.35
RARG P13631 2/20 0.35
TSHR P16473 1/20 0.34
CLCN2 P51788 1/20 0.34
TAS1R3 Q7RTX0 1/20 0.34
TAS1R1 Q7RTX1 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL9065806 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1F2ELANE
SCHEMBL9065301 0.71 RARG (0.36) MEN1KMT2AALDH1A1F2ELANE
SCHEMBL7951858 0.70 ALDH1A1 (0.36) MEN1KMT2AALDH1A1F2ELANE
SCHEMBL9364775 0.65 FDPS (0.39) F2ELANERARG
SCHEMBL9364780 0.65 FDPS (0.39) F2ELANERARG
SCHEMBL8945690 0.65 ALDH1A1 (0.66) MEN1KMT2AALDH1A1RARGTSHR
SCHEMBL9362238 0.65 RARG (0.38) F2ELANERARGTAS1R3TAS1R1
SCHEMBL3639108 0.64 PPARD (0.51) ALDH1A1F2ELANERARGTSHR
SCHEMBL8945692 0.64 NPC1 (0.48) MEN1KMT2AALDH1A1TSHR
SCHEMBL7951999 0.63 ALDH1A1 (0.40) MEN1KMT2AALDH1A1F2ELANE

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-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed