SCHEMBL8387147

SCHEMBL8387147

CCC(=O)Oc1ccc2c3ccccc3n(Cc3ccc(O)cc3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 1/20 0.51
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 1/20 0.48
P2RX4 Q99571 1/20 0.47
PSEN1 P49768 8/20 0.44
PSEN2 P49810 8/20 0.44
APH1B Q8WW43 8/20 0.44
NCSTN Q92542 8/20 0.44
APH1A Q96BI3 8/20 0.44
PSENEN Q9NZ42 8/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC10 Q969S8 1/20 0.44
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PRSS1 P07477 2/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 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
SCHEMBL8390940 0.89 S1PR3 (0.52) S1PR3HDAC6HDAC3P2RX4PSEN1
SCHEMBL8389008 0.89 S1PR3 (0.47) S1PR3HDAC6HDAC3PSEN1PSEN2
SCHEMBL8391192 0.88 S1PR3 (0.49) S1PR3HDAC6HDAC3P2RX4PSEN1
SCHEMBL8390497 0.81 NPSR1 (0.50) S1PR3PSEN1PSEN2APH1BNCSTN
SCHEMBL8388466 0.80 KMT2A (0.55) S1PR3P2RX4PSEN1PSEN2APH1B
SCHEMBL9056373 0.79 ELANE (0.57) S1PR3P2RX4PSEN1PSEN2APH1B
SCHEMBL8387151 0.79 MAPT (0.65) HDAC6HDAC3P2RX4PSEN1PSEN2
SCHEMBL8389101 0.77 DYRK1A (0.52) S1PR3P2RX4PSEN1PSEN2APH1B
SCHEMBL8389023 0.77 CYP3A4 (0.49) S1PR3P2RX4PSEN1PSEN2APH1B
SCHEMBL18382517 0.76 CYP19A1 (0.70) HDAC6HDAC3P2RX4HDAC1HDAC10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877199-A ALZHEIMER'S DISEASE; SEDATIVE SANKYO COMPANY, LIMITED (JP) 1999-03-02 US disclosed
CN-1166169-A Heterocyclic compounds, useful as allosteric effectors at muscarinic receptors SANKYO CO (JP) 1997-11-26 CN disclosed