SCHEMBL11468900

SCHEMBL11468900

CCCCCCCCCCCCCCCCNc1ccc(C(=O)Oc2cncc(C(=O)O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.49
MAPT P10636 3/20 0.47
HCAR3 P49019 1/20 0.47
PLK1 P53350 3/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 3/20 0.44
SCN5A Q14524 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAOA P21397 1/20 0.44
CNR1 P21554 1/20 0.44
DRD4 P21917 1/20 0.44
ACHE P22303 1/20 0.44
HRH2 P25021 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
MAPK1 P28482 1/20 0.44
NTSR1 P30989 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
SCHEMBL11376686 0.85 MGLL (0.55) S1PR3PLK1LMNASCN5ACYP1A2
SCHEMBL11240786 0.84 S1PR3 (0.44) S1PR3HCAR3PLK1KMT2AMEN1
SCHEMBL11240789 0.84 S1PR3 (0.44) S1PR3HCAR3PLK1KMT2AMEN1
SCHEMBL11342082 0.82 KMT2A (0.67) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL11375332 0.81 MGLL (0.53) MAPTPLK1KMT2AMEN1ALDH1A1
SCHEMBL2309354 0.78 HCAR3 (0.59) S1PR3MAPTHCAR3PLK1KMT2A
Cetaben SCHEMBL2112078 0.78 HCAR3 (0.59) S1PR3MAPTHCAR3PLK1KMT2A
SCHEMBL10950807 0.78 HCAR3 (0.59) S1PR3MAPTHCAR3PLK1KMT2A
SCHEMBL10534588 0.78 HCAR3 (0.59) S1PR3MAPTHCAR3PLK1KMT2A
SCHEMBL22398313 0.78 HCAR3 (0.59) S1PR3MAPTHCAR3PLK1KMT2A

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-4196208-A ANTILIPEMIC AGENTS AMERICAN CYANAMID COMPANY (US) 1980-04-01 US claimed