SCHEMBL20164228

SCHEMBL20164228

CCCc1ccc(C(=O)Oc2c(C)cc(C(C)(C)C)cc2N(C)C(=O)OCC)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 2/20 0.34
ESRRG P62508 2/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
PLK1 P53350 1/20 0.33
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL20164300 0.90 ABCB1 (0.38) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL18249415 0.88 ABCB1 (0.37) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL20164286 0.87 GAA (0.38) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL20164281 0.87 TDP1 (0.44) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL20164204 0.86 NPSR1 (0.39) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL20164256 0.86 ABCB1 (0.35) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL20164239 0.85 NPSR1 (0.38) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL20164240 0.85 NR1H4 (0.39) ABCB1MAPTNPC1ALDH1A1RAB9A
SCHEMBL18249412 0.83 MAPT (0.37) MAPTNPC1ALDH1A1RAB9AKMT2A
SCHEMBL20164288 0.82 MAPT (0.34) ABCB1MAPTNPC1ALDH1A1RAB9A

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