SCHEMBL100322

SCHEMBL100322

COc1cc(NC(=O)CCc2ccc(-c3ccccc3)c(NC(=O)O)c2)c(Cl)cc1CO[Si](C)(C)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
LTB4R Q15722 1/20 0.41
HCAR2 Q8TDS4 5/20 0.40
CHEK1 O14757 2/20 0.40
GAA P10253 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 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
SCHEMBL97653 0.95 CHEK1 (0.42) HPGDNPC1RAB9ASMN1; SMN2LTB4R
SCHEMBL15823470 0.88 ALDH1A1 (0.37) NPC1RAB9ASMN1; SMN2TSHRKMT2A
SCHEMBL99117 0.88 CHEK1 (0.38) HPGDNPC1RAB9ASMN1; SMN2HCAR2
SCHEMBL99071 0.87 RAB9A (0.43) NPC1RAB9ASMN1; SMN2LTB4RHCAR2
SCHEMBL100652 0.87 HCAR2 (0.44) HPGDNPC1RAB9ASMN1; SMN2LTB4R
SCHEMBL98766 0.87 LTB4R (0.52) HPGDSMN1; SMN2LTB4RHCAR2TSHR
SCHEMBL663010 0.87 CHRM3 (0.46) HPGD
SCHEMBL100422 0.86 HPGD (0.51) HPGDNPC1RAB9ASMN1; SMN2LTB4R
SCHEMBL102147 0.86 LTB4R (0.44) HPGDSMN1; SMN2LTB4RHCAR2KMT2A
SCHEMBL99659 0.86 POLB (0.40) HPGDNPC1RAB9ASMN1; SMN2LTB4R

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-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP claimed
EP-2426121-A1 QUATERNARY AMMONIUM SALT COMPOUND Teijin Pharma Limited (JP) 2012-03-07 EP disclosed