SCHEMBL8488729

SCHEMBL8488729

CCN1CCC(Oc2ccc(C(=O)c3ccc(OC)cc3-c3ccc(OC)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
ACHE P22303 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM2B Q8NHM5 1/20 0.42
CYP2C8 P10632 1/20 0.42
SSTR5 P35346 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
SCHEMBL8490467 0.88 CHRM3 (0.44) ADRB2LMNAKMT2A
SCHEMBL8491305 0.88 CHEK2 (0.47) ADRB2ALDH1A1KDM4ENPC1SMN1; SMN2
SCHEMBL8490356 0.88 KDM2B (0.51) ALDH1A1KDM4EKMT2ANPC1NPSR1
SCHEMBL8486890 0.88 ESR1 (0.52) ADRB2HRH3MEN1KMT2APOLB
SCHEMBL8490502 0.84 CHEK2 (0.53) ACHE
SCHEMBL8489816 0.80 ALDH1A1 (0.52) ALDH1A1MEN1KMT2ANPC1POLB
SCHEMBL6600800 0.79 ESR1 (0.61)
SCHEMBL7502103 0.79 NPC1 (0.66) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8490051 0.77 ESR1 (0.47) SSTR5
SCHEMBL8492168 0.76 ESR1 (0.54) ALDH1A1KDM4EKDM2B

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
WO-1999015521-A1 BENZOTHIOPHENES ELI LILLY AND COMPANY (US) 1999-04-01 WO disclosed