SCHEMBL20164256

SCHEMBL20164256

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
MAPT P10636 4/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
THRB P10828 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
KMT2A Q03164 1/20 0.32
ESRRG P62508 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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) ABCB1MAPTLMNASMN1; SMN2NPC1
SCHEMBL20164290 0.89 RAB9A (0.35) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL20164243 0.89 MAPT (0.40) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL20164228 0.86 ABCB1 (0.35) ABCB1TAS1R3TAS1R1MAPTLMNA
SCHEMBL20164240 0.86 NR1H4 (0.39) ABCB1MAPTLMNASMN1; SMN2NPC1
SCHEMBL20164299 0.83 LMNA (0.38) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL20164239 0.82 NPSR1 (0.38) ABCB1MAPTLMNASMN1; SMN2NPC1
SCHEMBL20164288 0.81 MAPT (0.34) ABCB1TAS1R3TAS1R1MAPTLMNA
SCHEMBL18249379 0.79 KMT2A (0.39) MAPTLMNASMN1; SMN2NPC1ALDH1A1
SCHEMBL18249443 0.79 ABCB1 (0.39) ABCB1MAPTLMNASMN1; SMN2NPC1

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