SCHEMBL11240150

SCHEMBL11240150

CCCCCCCCCCCCCCCCNc1ccc(/C=C/C(=O)Oc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC2 Q9UIJ5 1/20 0.48
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
APP P05067 1/20 0.47
PLK1 P53350 3/20 0.47
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
S1PR3 Q99500 1/20 0.46
EGFR P00533 1/20 0.45
RARB P10826 3/20 0.44
XDH P47989 1/20 0.44
TUBB4A P04350 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
SCHEMBL11240154 1.00 ZDHHC2 (0.48) ZDHHC2KMT2ATP53TSHRAPP
SCHEMBL11229500 0.90 ZDHHC2 (0.60) ZDHHC2KMT2AEGFRTUBB4ATUBB
SCHEMBL11229503 0.90 ZDHHC2 (0.60) ZDHHC2KMT2AEGFRTUBB4ATUBB
SCHEMBL11240789 0.85 S1PR3 (0.44) ZDHHC2KMT2AAPPPLK1HTT
SCHEMBL11240786 0.85 S1PR3 (0.44) ZDHHC2KMT2AAPPPLK1HTT
SCHEMBL11376686 0.83 MGLL (0.55) TP53TSHRPLK1PLA2G4BKDM4E
SCHEMBL11668161 0.82 TP53 (0.68) TP53TSHRPLA2G4BRARB
SCHEMBL11280086 0.81 HCAR3 (0.59) KMT2ATP53TSHRPLK1PLA2G4B
SCHEMBL2309354 0.81 HCAR3 (0.59) KMT2ATP53TSHRPLK1PLA2G4B
SCHEMBL22398313 0.81 HCAR3 (0.59) KMT2ATP53TSHRPLK1PLA2G4B

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