SCHEMBL7880583

SCHEMBL7880583

O=COc1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
DRD1 P21728 1/20 0.38
NFE2L2 Q16236 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALOX5 P09917 1/20 0.36
SOS1 Q07889 1/20 0.35
HSPB1 P04792 1/20 0.35
SCN4A P35499 2/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.34
PTGS1 P23219 1/20 0.34
MAOB P27338 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
SCHEMBL95870 0.93 NFE2L2 (0.41) ALDH1A1LMNANFE2L2L3MBTL1SOS1
SCHEMBL17297207 0.88 DRD1 (0.40) ALDH1A1DRD1NPC1RAB9A
SCHEMBL18086891 0.85 BCL2L1 (0.36) BCL2L1BADALDH1A1KDM4ELMNA
SCHEMBL11101664 0.83 KMT2A (0.48) BCL2L1BADALDH1A1KDM4EKMT2A
SCHEMBL11100916 0.83 KMT2A (0.48) BCL2L1BADALDH1A1KDM4EKMT2A
SCHEMBL6454577 0.80 ALDH1A1 (0.38) ALDH1A1KDM4ELMNADRD1
SCHEMBL17404939 0.79 ANPEP (0.38) DRD1
SCHEMBL15588665 0.79 ERN1 (0.40) ALDH1A1KDM4ELMNAL3MBTL1KMT2A
SCHEMBL1262464 0.79 CA1 (0.47) BCL2L1ALDH1A1LMNAKMT2A
SCHEMBL14878267 0.78 GRIN2D (0.46) ALDH1A1NFE2L2L3MBTL1NPC1RAB9A

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-6333441-B1 FORMING MIXTURE COMPRISING FORMIC ACID, TRIETHYLAMINE, TRIBUTYLPHOSPHINE, AND TRIS(DIBENZYLIDENEACETONE) DIPALLADIUM (0)-CHLOROFORM ADDUCT IN SOLVENT, ADDING THERETO ALKYNE UNDER EFFECTIVE REDUCTION CONDITIONS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2001-12-25 US disclosed
EP-0560532-B1 Preparation of cis-olefins NISSAN CHEMICAL IND LTD (JP) 1999-08-04 EP disclosed
EP-0560532-A1 Preparation of cis-olefins NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1993-09-15 EP disclosed