SCHEMBL11147697

SCHEMBL11147697

O=C(CCl)Oc1ccc(Sc2ccc(OC(=O)CCl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
MITF O75030 1/20 0.47
XBP1 P17861 1/20 0.47
NOD2 Q9HC29 1/20 0.47
KMT2A Q03164 6/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.39
ESR1 P03372 2/20 0.39
HIF1A Q16665 2/20 0.39
RECQL P46063 1/20 0.39
STS P08842 1/20 0.38
HPGD P15428 3/20 0.38
GAA P10253 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
SCHEMBL4095285 0.87 KMT2A (0.52) RAB9AKMT2ALMNAMAPTALDH1A1
SCHEMBL9716781 0.85 KMT2A (0.44) NPSR1RAB9AKMT2ALMNAMAPT
SCHEMBL9792720 0.79 KMT2A (0.45) XBP1KMT2ALMNAMAPTALDH1A1
SCHEMBL10768902 0.79 KMT2A (0.49) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL4643998 0.78 MGLL (0.46) NPSR1RAB9AKMT2ALMNAMAPT
SCHEMBL10499664 0.78 KMT2A (0.44) KMT2ALMNAMAPTALDH1A1HTT
SCHEMBL10500407 0.78 LMNA (0.57) NPC1KMT2ALMNAMAPTALDH1A1
SCHEMBL11556226 0.78 KMT2A (0.44) RAB9AKMT2ALMNAMAPTALDH1A1
SCHEMBL4645765 0.78 GAA (0.56) RAB9ANPC1KMT2ALMNAMAPT
SCHEMBL137047 0.77 CYP19A1 (0.52) NPSR1RAB9ANPC1MITFKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4374854-A Fungicidal sulfur-containing phenyl esters and mixtures thereof GAF CORPORATION (US) 1983-02-22 US disclosed