SCHEMBL8884201

SCHEMBL8884201

CCc1ccc2occ(CONC(C)=O)c2c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.54
MTNR1A P48039 8/20 0.53
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.48
NQO2 P16083 3/20 0.46
MTNR1B P49286 2/20 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
SCHEMBL8885306 0.82 MTNR1A (0.67) MTNR1AMAPTNQO2MTNR1B
SCHEMBL8885141 0.82 MTNR1A (0.66) MTNR1ANQO2MTNR1B
SCHEMBL8885059 0.81 MTNR1A (0.62) MTNR1AMAPTNQO2MTNR1B
SCHEMBL8885168 0.80 PSMB5 (0.53) MTNR1A
SCHEMBL10222548 0.79 TP53 (0.59) TP53MTNR1AMAPTSMN1; SMN2THRB
SCHEMBL7752915 0.78 MTNR1A (0.83) TP53MTNR1ANQO2MTNR1B
SCHEMBL8883881 0.75 MTNR1A (0.69) MTNR1ANQO2MTNR1B
SCHEMBL8884345 0.74 HTR1D (0.56) MTNR1AMAPTNQO2MTNR1B
SCHEMBL8884003 0.74 MTNR1A (0.56) TP53MTNR1ASMN1; SMN2MTNR1B
SCHEMBL8867452 0.72 MTNR1A (0.66) TP53MTNR1AMAPTSMN1; SMN2NQO2

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