SCHEMBL9065301

SCHEMBL9065301

COCCOCOc1cc(Cl)c(C(Cl)(C(=O)O)C(c2ccccc2)c2ccccc2)cc1OCOCCOC

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARG P13631 4/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CLCN2 P51788 1/20 0.34
F2 P00734 1/20 0.33
ELANE P08246 1/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
GPR88 Q9GZN0 2/20 0.33
HPGD P15428 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9065809 0.71 MEN1 (0.38) RARGMEN1KMT2AALDH1A1CLCN2
SCHEMBL7960015 0.70 GPR88 (0.32) RARGMEN1KMT2AMAPTGPR88
SCHEMBL9065806 0.69 MEN1 (0.36) RARGMEN1KMT2AALDH1A1CLCN2
SCHEMBL8677572 0.68 MAPK1 (0.33) RARGMEN1KMT2AALDH1A1GPR88
SCHEMBL8945690 0.68 ALDH1A1 (0.66) RARGMEN1KMT2ALMNAALDH1A1
SCHEMBL9362238 0.67 RARG (0.38) RARGF2ELANERARARARB
SCHEMBL7951999 0.66 ALDH1A1 (0.40) RARGMEN1KMT2AMAPTALDH1A1
SCHEMBL7952003 0.66 ALDH1A1 (0.40) RARGMEN1KMT2AMAPTALDH1A1
SCHEMBL9364775 0.66 FDPS (0.39) RARGF2ELANERARARARB
SCHEMBL8435541 0.66 RARG (0.37) RARGMEN1KMT2AF2ELANE

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