SCHEMBL5587045

SCHEMBL5587045

COc1cc(NCCCCS(=O)(=O)O)cc(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
POLB P06746 2/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SLC2A1 P11166 1/20 0.40
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.38
PKM P14618 1/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL244918 0.97 KMT2A (0.42) KMT2APOLBMTNR1AMTNR1BSLC2A1
SCHEMBL27677191 0.95 KMT2A (0.41) KMT2APOLBMTNR1AMTNR1BSLC2A1
Water SCHEMBL20853621 0.94 KMT2A (0.41) KMT2APOLBMTNR1AMTNR1BSLC2A1
SCHEMBL2111043 0.88 MTNR1A (0.39) KMT2APOLBMTNR1AMTNR1BSLC2A1
SCHEMBL2498356 0.83 MTNR1A (0.59) KMT2APOLBMTNR1AMTNR1BLMNA
SCHEMBL4143235 0.82 MTNR1A (0.39) KMT2APOLBMTNR1AMTNR1BLMNA
SCHEMBL917492 0.81 GAA (0.59) KMT2ASLC2A1ALDH1A1PKMGAA
SCHEMBL4614538 0.78 SLC2A1 (0.37) KMT2APOLBSLC2A1LMNASMN1; SMN2
SCHEMBL5586997 0.78 THRB (0.44) KMT2AALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11118508 0.78 KDR (0.45) KMT2APOLBMTNR1AMTNR1BALDH1A1

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
EP-1203959-B1 ANALYZING CARTRIDGE AND LIQUID FEED CONTROL DEVICE ASAHI CHEMICAL IND (JP) 2007-06-13 EP disclosed
EP-1203959-A1 ANALYZING CARTRIDGE AND LIQUID FEED CONTROL DEVICE Asahi Kasei Kabushiki Kaisha (JP) 2002-05-08 EP disclosed