SCHEMBL7951858

SCHEMBL7951858

COCCOCOc1cc(C(ONC(c2ccccc2)c2ccccc2)C(=O)O)c(Cl)c(Cl)c1OCOCCOC

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TAAR1 Q96RJ0 1/20 0.36
FABP4 P15090 1/20 0.34
FABP5 Q01469 1/20 0.34
HTR1D P28221 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 2/20 0.33
RECQL P46063 1/20 0.33
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
F2 P00734 1/20 0.32
ELANE P08246 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
SCHEMBL8133050 0.72 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9065809 0.70 MEN1 (0.38) ALDH1A1MEN1KMT2ATAAR1TSHR
SCHEMBL8634082 0.70 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL7961386 0.69 F2 (0.37) ALDH1A1KMT2AF2ELANE
SCHEMBL7962776 0.69 FABP4 (0.38) FABP4FABP5F2ELANE
SCHEMBL9065806 0.69 MEN1 (0.36) ALDH1A1MEN1KMT2ATAAR1TSHR
SCHEMBL8382372 0.69 F2 (0.37) ALDH1A1MEN1KMT2ATAAR1TSHR
SCHEMBL7962067 0.67 RARG (0.40) ALDH1A1TSHRLMNAF2ELANE
SCHEMBL8128979 0.66 RARG (0.39) ALDH1A1MEN1KMT2ATAAR1SMN1; SMN2
SCHEMBL7951484 0.66 FABP4 (0.50) ALDH1A1FABP4FABP5LMNAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313305-B1 ANTIBIOTICS, BACTERICIDES HOECHST MARION ROUSSEL (FR) 2001-11-06 US disclosed
US-5587372-A BACERICIDES ROUSSEL UCLAF (FR) 1996-12-24 US disclosed