SCHEMBL8885141

SCHEMBL8885141

COc1ccc2occ(CONC(C)=O)c2c1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.66
MTNR1B P49286 5/20 0.66
NQO2 P16083 1/20 0.66
LMNA P02545 1/20 0.59
TSHR P16473 1/20 0.59
HTT P42858 1/20 0.59
ALDH1A1 P00352 1/20 0.56
HTR2C P28335 1/20 0.54

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
SCHEMBL8885306 0.88 MTNR1A (0.67) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8884128 0.87 MTNR1A (0.56) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8884133 0.86 MTNR1A (0.56) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8885059 0.85 MTNR1A (0.62) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8882998 0.84 MTNR1A (0.69) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8884731 0.82 MTNR1A (0.55) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8884201 0.82 TP53 (0.54) MTNR1AMTNR1BNQO2
SCHEMBL4153178 0.80 MTNR1A (0.66) MTNR1AMTNR1BNQO2LMNATSHR
SCHEMBL8885168 0.80 PSMB5 (0.53) MTNR1A
SCHEMBL7018941 0.80 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C

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