SCHEMBL11236951

SCHEMBL11236951

CCOC(=O)C#Cc1ccc(N)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAOA P21397 2/20 0.51
APP P05067 4/20 0.43
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPIB P23284 1/20 0.40
PPIA P62937 1/20 0.40
PPID Q08752 1/20 0.40
PPIG Q13427 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PRKCZ Q05513 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL28747451 0.86 VCP (0.46) CYP1A2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9935172 0.84 CA12 (0.50) LMNAAPPTSHRTDP1ALDH1A1
SCHEMBL1977638 0.83 POLB (0.44) LMNACYP1A2CYP3A4TSHRTDP1
SCHEMBL2433672 0.83 APP (0.45) LMNACYP1A2APPTDP1ALDH1A1
SCHEMBL7950 0.83 KMT2A (0.45) LMNACYP1A2CYP3A4TSHRALDH1A1
SCHEMBL852379 0.83 L3MBTL1 (0.44) TDP1ALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL11544791 0.83 ALDH1A1 (0.53) ALDH1A1NPC1
SCHEMBL788820 0.83 APP (0.49) APPTSHRALDH1A1GAA
SCHEMBL2300644 0.83 ACACB (0.44) TSHRALDH1A1MAPTNPC1RAB9A
SCHEMBL852513 0.82 GAA (0.50) TSHRTDP1NPC1RAB9ASMN1; SMN2

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
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
US-4211783-A Hypolipidemic and antiatherosclerotic novel 4-(aralkyl- and heteroarylalkylamino)phenyl compounds AMERICAN CYANAMID COMPANY (US) 1980-07-08 US disclosed
EP-0003663-A2 Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them AMERICAN CYANAMID COMPANY (US) 1979-08-22 EP disclosed