SCHEMBL11528528

SCHEMBL11528528

CC(C)Nc1ccc(OCCCCCOc2ccc(NC(C)C)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 10/20 0.45
TDP1 Q9NUW8 2/20 0.45
EPHX2 P34913 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GAA P10253 1/20 0.44
NR5A1 Q13285 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
CYP3A4 P08684 1/20 0.44
THRB P10828 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
ATM Q13315 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL11531493 1.00 APP (0.45) APPTDP1EPHX2NPC1RAB9A
SCHEMBL11526401 0.94 TDP1 (0.46) APPTDP1EPHX2NPC1RAB9A
SCHEMBL11529872 0.92 TDP1 (0.48) APPTDP1EPHX2GAAALDH1A1
SCHEMBL14424035 0.91 NPC1 (0.57) NPC1RAB9AGAANR5A1TSHR
SCHEMBL14424036 0.90 NPC1 (0.51) NPC1RAB9ANR5A1LMNACYP3A4
SCHEMBL14424034 0.86 CXCL12 (0.50) EPHX2NPC1RAB9AGAAALDH1A1
SCHEMBL11529793 0.85 APP (0.43) APPEPHX2NPC1RAB9AGAA
SCHEMBL21600820 0.85 ACACB (0.43) TDP1EPHX2GAAALDH1A1LMNA
SCHEMBL11531745 0.85 APP (0.43) APPEPHX2NPC1RAB9AGAA
SCHEMBL20129373 0.84 EPHX2 (0.50) APPTDP1EPHX2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161474-A STABILIZERS, ANTIOZONANTS FOR VULCANIZABLE DIENE RUBBERS MONSANTO COMPANY (US) 1979-07-17 US disclosed