SCHEMBL11575799

SCHEMBL11575799

CC(C)(c1ccc(OCCOCCO)cc1)c1c(Br)c(Br)c(Oc2c(Br)c(Br)c(C(C)(C)c3ccc(OCCOCCO)cc3)c(Br)c2Br)c(Br)c1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
APP P05067 5/20 0.41
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 2/20 0.41
MAPK1 P28482 1/20 0.41
CASP1 P29466 1/20 0.41
SLCO1B3 Q9NPD5 1/20 0.41
SLCO1B1 Q9Y6L6 1/20 0.41
KDM4E B2RXH2 5/20 0.39
POLB P06746 2/20 0.39
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HTT P42858 1/20 0.36
NR1I2 O75469 1/20 0.36
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL5424245 0.85 SMN1; SMN2 (0.51) CYP3A4SMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL466186 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL5473974 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL5462324 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL5457352 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL5468192 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL5459507 0.82 SMN1; SMN2 (0.56) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL6417066 0.81 SMN1; SMN2 (0.51) CYP3A4SMN1; SMN2APPALDH1A1LMNA
SCHEMBL466179 0.80 SMN1; SMN2 (0.58) CYP3A4SMN1; SMN2APPALDH1A1LMNA
Di(Hydroxyethyl)Ether SCHEMBL9469009 0.77 SMN1; SMN2 (0.62) CYP3A4SMN1; SMN2APPALDH1A1LMNA

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-4101526-A Process for the manufacture of linear polyesters which contain phosphites and/or phosphates CIBA-GEIGY CORPORATION (US) 1978-07-18 US disclosed
US-3997510-A CONTAINING BENZIMIDAZOLONE RADICAL CIBA-GEIGY CORPORATION (US) 1976-12-14 US disclosed