SCHEMBL18113259

SCHEMBL18113259

CCOC(=O)C(C)SC(=O)c1cccc(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
ELANE P08246 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 4/20 0.42
SLC6A3 Q01959 3/20 0.42
CHRNA1 P02708 1/20 0.42
CHRNG P07510 1/20 0.42

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
SCHEMBL18113171 0.86 SMN1; SMN2 (0.43) HPGDELANECHRM2CHRM4CHRM1
SCHEMBL18113108 0.83 MAPT (0.43) HPGDELANECHRM2CHRM4CHRM1
SCHEMBL18113262 0.82 ALDH1A1 (0.52) SMN1; SMN2MAPTALDH1A1LMNAMEN1
SCHEMBL18113240 0.82 KMT2A (0.53) HPGDMAPTALDH1A1LMNAMEN1
SCHEMBL16235711 0.82 TRPV1 (0.42) HPGDELANECHRM2CHRM4CHRM1
SCHEMBL18113239 0.81 HPGD (0.43) HPGDELANECHRM2CHRM4CHRM1
SCHEMBL16236318 0.79 HPGD (0.39) HPGDELANECHRM2CHRM4CHRM1
SCHEMBL18113187 0.78 MAPT (0.41) HPGDELANECHRM1SMN1; SMN2MAPT
SCHEMBL16236189 0.78 PARP1 (0.47) HPGDSMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL27564348 0.77 SLC6A2 (0.49) HPGDELANECHRM2CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277736-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-03-27 EP disclosed
US-10011668-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-07-03 US disclosed
US-20180057622-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-03-01 US disclosed
EP-3277736-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS Basell Poliolefine Italia S.r.l. (IT) 2018-02-07 EP disclosed
WO-2016156473-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2016-10-06 WO disclosed