SCHEMBL9246684

SCHEMBL9246684

[CH2]c1cc(OC)c(Cl)cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.50
TAAR1 Q96RJ0 1/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
APOBEC3G Q9HC16 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
CCR6 P51684 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
PGK1 P00558 1/20 0.38
GSK3B P49841 1/20 0.38
MAP4K2 Q12851 1/20 0.38

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
SCHEMBL9244642 0.91 GAA (0.56) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL10717601 0.84 CYP3A4 (0.41) ALDH1A1MAPTPOLBKDM4ETSHR
Chloroneb SCHEMBL22739 0.84 GAA (0.64) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL1098582 0.80 NPC1 (0.45) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL30487990 0.79 GAA (0.65) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL27952777 0.79 GAA (0.65) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL5181298 0.79 CYP3A4 (0.43) GAAALDH1A1MAPTKDM4ETSHR
SCHEMBL3757554 0.79 NPC1 (0.65) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL16609990 0.76 GAA (0.68) GAANPC1TAAR1ALDH1A1MAPT
SCHEMBL10356771 0.75 GAA (0.54) GAANPC1TAAR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0437186-B1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA GEIGY AG (CH) 1995-12-06 EP disclosed
EP-0365483-B1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA GEIGY AG (CH) 1993-12-29 EP disclosed
US-5272192-A Melamine derivatives as stabilizers for chloride-containing polymers CIBA-GEIGY CORPORATION (US) 1993-12-21 US disclosed
EP-0437186-A1 Melamine derivatives as stabilizers for chlorine containing polymers CIBA-GEIGY AG (CH) 1991-07-17 EP disclosed
US-5030671-A Metal carboxylate and/or phenolate mixture CIBA-GEIGY CORPORATION (US) 1991-07-09 US disclosed
EP-0365483-A1 Mercaptobenzoic-acid esters used as stabilizers for chlorine-containing polymers CIBA-GEIGY AG (CH) 1990-04-25 EP disclosed