SCHEMBL8885306

SCHEMBL8885306

CCOc1ccc2occ(CONC(C)=O)c2c1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.67
MTNR1B P49286 4/20 0.51
NQO2 P16083 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 2/20 0.45
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8885059 0.91 MTNR1A (0.62) MTNR1AMTNR1BNQO2MAPTTSHR
SCHEMBL8885141 0.88 MTNR1A (0.66) MTNR1AMTNR1BNQO2TSHRLMNA
SCHEMBL8884201 0.82 TP53 (0.54) MTNR1AMTNR1BNQO2MAPT
SCHEMBL8885168 0.78 PSMB5 (0.53) MTNR1A
SCHEMBL8886877 0.77 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8882996 0.76 MTNR1A (0.56) MTNR1AMTNR1BMAPTLMNAKDM4E
SCHEMBL8885320 0.76 MTNR1A (0.53) MTNR1AMTNR1BNQO2KDM4E
SCHEMBL8884128 0.75 MTNR1A (0.56) MTNR1AMTNR1BNQO2MAPTTSHR
SCHEMBL8884133 0.75 MTNR1A (0.56) MTNR1AMTNR1BNQO2MAPTTSHR
SCHEMBL8882998 0.73 MTNR1A (0.69) MTNR1AMTNR1BNQO2TSHRLMNA

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-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed