SCHEMBL17397484

SCHEMBL17397484

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)OC[C@H](CCC[CH]Cc2ccccc2)NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 3/20 0.40
PPARG P37231 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
CACNA1B Q00975 2/20 0.39
PSEN1 P49768 2/20 0.39
PSEN2 P49810 2/20 0.39
APH1B Q8WW43 2/20 0.39
NCSTN Q92542 2/20 0.39
APH1A Q96BI3 2/20 0.39
PSENEN Q9NZ42 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
SYK P43405 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 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
SCHEMBL28820385 0.87 L3MBTL1 (0.42) PPARAPPARGL3MBTL1CACNA1BPSEN1
SCHEMBL15238498 0.87 L3MBTL1 (0.42) PPARAPPARGL3MBTL1CACNA1BPSEN1
SCHEMBL20211087 0.85 CTSK (0.48) PPARAPPARGCACNA1BHDAC3HDAC1
SCHEMBL17009235 0.85 CTSK (0.48) PPARAPPARGCACNA1BHDAC3HDAC1
SCHEMBL17397587 0.84 PPARA (0.46) PPARAPPARGCACNA1BCTSK
SCHEMBL6123047 0.84 CACNA1B (0.43) PPARAPPARGCACNA1BPSEN1PSEN2
SCHEMBL29627346 0.83 MAPT (0.53) ATMSYK
SCHEMBL21715297 0.83 MAPT (0.53) ATMSYK
SCHEMBL20211129 0.82 CACNA1B (0.41) PPARAPPARGCACNA1BHDAC1CTSK
SCHEMBL16762042 0.82 CACNA1B (0.41) PPARAPPARGCACNA1BHDAC1CTSK

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-3104867-B1 COMPOSITIONS AND METHODS TO IMPROVE THE HOMING AND GRAFTING OF HEMATOPOETIC STEM CELLS 7 Hills Pharma LLC (US) 2022-01-19 EP disclosed
EP-3164127-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS, LLC (US) 2017-05-10 EP disclosed
WO-2016003980-A1 COMPOSITIONS AND METHODS TO IMPROVE ADOPTIVE CELL THERAPIES 7 HILLS INTERESTS LLC (US) 2016-01-07 WO disclosed