SCHEMBL6131875

SCHEMBL6131875

COc1cc(CCl)c(Cl)cc1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.50
ABCB1 P08183 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
CTSV O60911 2/20 0.45
CTSL P07711 2/20 0.45
SRD5A1 P18405 2/20 0.45

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
SCHEMBL8793707 0.91 ABCB1 (0.51) CHRNA7ABCB1ABCG2KMT2AMEN1
SCHEMBL30323792 0.84 KMT2A (0.60) CHRNA7ABCB1ABCG2KMT2AMEN1
SCHEMBL18425701 0.84 KMT2A (0.60) CHRNA7ABCB1ABCG2KMT2AMEN1
SCHEMBL13463385 0.80 TAAR1 (0.50) KMT2AMEN1ALDH1A1NPC1HPGD
SCHEMBL5685790 0.79 SMPD1 (0.49) KMT2AMEN1SMN1; SMN2KDM4ELMNA
SCHEMBL17833747 0.78 CHRNA7 (0.46) CHRNA7ABCB1ABCG2KMT2AMEN1
SCHEMBL8041162 0.77 CTSV (0.60) SMN1; SMN2NPC1HPGDRAB9ACTSV
SCHEMBL8037003 0.77 ALDH1A1 (0.58) CHRNA7SMN1; SMN2KDM4ELMNAHTT
SCHEMBL5387584 0.77 TTR (0.65) ABCB1ABCG2KMT2AMEN1SMN1; SMN2
SCHEMBL6672350 0.77 TTR (0.60) ABCB1ABCG2KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed