SCHEMBL20164272

SCHEMBL20164272

CCCc1ccc(C(=O)OCC(CN(C)C(=O)OCC)(C(C)C)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ESR1 P03372 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ESR2 Q92731 1/20 0.38
CA14 Q9ULX7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 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
SCHEMBL20164298 0.86 LMNA (0.41) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL18249467 0.85 TAS1R3 (0.36) MAPTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL16555821 0.80 TAS1R3 (0.40) MAPTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL20164227 0.78 ALDH1A1 (0.49) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL18249399 0.76 MAPT (0.38) MAPTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL18249486 0.76 ACHE (0.44) MAPTNPC1RAB9AALDH1A1TAS1R3
SCHEMBL20164216 0.76 ALDH1A1 (0.52) MAPTNPC1RAB9AALDH1A1L3MBTL1
SCHEMBL571227 0.75 CA1 (0.63) ALDH1A1L3MBTL1KMT2ACA12CA1
SCHEMBL17924097 0.74 RARB (0.42) NPC1RAB9AALDH1A1ESR1SMN1; SMN2
SCHEMBL18249448 0.74 CYP4F2 (0.41) MAPTNPC1RAB9AALDH1A1TAS1R3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3298048-B1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA SRL (IT) 2019-07-03 EP disclosed
US-10221256-B2 Catalyst components for the polymerization of olefins BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2019-03-05 US disclosed
US-20180142044-A1 CATALYST COMPONENTS FOR THE POLYMERIZATION OF OLEFINS BASELL POLIOLEFINE ITALIA S.R.L. (IT) 2018-05-24 US disclosed