SCHEMBL8768182

SCHEMBL8768182

OC(CCl)c1ccc(OCc2ccccc2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
ACP1 P24666 1/20 0.49
PTPN12 Q05209 1/20 0.49
PTPN13 Q12923 1/20 0.49
SSU72 Q9NP77 1/20 0.49
MRGPRX4 Q96LA9 8/20 0.46
HPGD P15428 4/20 0.44
TP53 P04637 2/20 0.44
XBP1 P17861 2/20 0.44
MEN1 O00255 1/20 0.44
MITF O75030 1/20 0.44
KMT2A Q03164 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL4376651 0.88 POLB (0.43) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL10172543 0.81 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL4455681 0.81 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5099246 0.79 CTSV (0.52) HPGDMEN1KMT2AMAPTHTT
SCHEMBL4594348 0.79 CTSV (0.52) HPGDMEN1KMT2AMAPTHTT
SCHEMBL38659146 0.78 ACP1 (0.53) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL8329893 0.77 ACP1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL1532826 0.77 NPC1 (0.61) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL9617400 0.75 NPC1 (0.56) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL5702091 0.75 NPC1 (0.50) NPC1RAB9ASMN1; SMN2NFKB1NFKB2

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
EP-0579833-B1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO (JP) 1997-08-20 EP disclosed
EP-0579833-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY. FUJISAWA PHARMACEUTICAL CO (JP) 1994-01-26 EP disclosed
WO-1992018461-A1 ETHANOLAMINE DERIVATIVES WITH ANTI-POLLAKIURIA ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-10-29 WO disclosed