SCHEMBL11239282

SCHEMBL11239282

CCCCCCCCCCCCCCCCNc1ccc(CCCC(=O)OCC(C)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.57
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
SPHK1 Q9NYA1 9/20 0.46
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR1 P21453 1/20 0.43
SPHK2 Q9NRA0 1/20 0.42
TLR2 O60603 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DUSP3 P51452 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL11238716 0.94 MAPT (0.55) MAPTSPHK1THRATHRBS1PR1
SCHEMBL11229504 0.94 MAPT (0.55) MAPTSPHK1THRATHRBS1PR1
SCHEMBL11244214 0.94 MAPT (0.55) MAPTSPHK1THRATHRBS1PR1
SCHEMBL11243750 0.89 KDM4E (0.59) ADRB2ADRB1ADRB3SPHK1SPHK2
SCHEMBL11225752 0.89 KDM4E (0.59) ADRB2ADRB1ADRB3SPHK1SPHK2
SCHEMBL11241552 0.89 KDM4E (0.59) ADRB2ADRB1ADRB3SPHK1SPHK2
SCHEMBL11240378 0.87 CYP4Z1 (0.52) SPHK1THRATHRBS1PR1
SCHEMBL11237134 0.83 KDM4E (0.56) ADRB2ADRB1ADRB3SPHK1KDM4E
SCHEMBL11238302 0.83 KDM4E (0.56) ADRB2ADRB1ADRB3SPHK1KDM4E
SCHEMBL11237441 0.83 KDM4E (0.56) ADRB2ADRB1ADRB3SPHK1KDM4E

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-4348399-A Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives AMERICAN CYANAMID COMPANY (US) 1982-09-07 US disclosed