SCHEMBL11533241

SCHEMBL11533241

CCCC(C)Nc1ccc(OCCCOc2ccc(NC(C)CCC)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.47
THRB P10828 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 1/20 0.47
HSP90AA1 P07900 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SLC2A1 P11166 3/20 0.47
EPHX2 P34913 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL11532572 0.97 NPC1 (0.47) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11531343 0.95 NPC1 (0.46) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11534494 0.95 NPC1 (0.46) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11533171 0.95 L3MBTL1 (0.48) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11531871 0.92 SLC2A1 (0.48) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11526412 0.90 SLC2A1 (0.51) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11525632 0.88 NPC1 (0.50) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11526403 0.88 SLC2A1 (0.51) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11528989 0.88 EPHX2 (0.53) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53
SCHEMBL11528467 0.87 NPC1 (0.49) L3MBTL1THRBSMN1; SMN2ALDH1A1TP53

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