SCHEMBL8669828

SCHEMBL8669828

COc1ccc2ccccc2c1CC(NC(C)=O)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 4/20 0.49
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ALOX15 P16050 1/20 0.46
POLB P06746 1/20 0.45
FPR2 P25090 1/20 0.45

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
SCHEMBL8673938 0.85 MTNR1A (0.52) KMT2AMEN1ALDH1A1MTNR1AMTNR1B
SCHEMBL7735713 0.83 KMT2A (0.53) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL7568871 0.80 MME (0.55) KMT2AMEN1
SCHEMBL8670242 0.79 CYP1A1 (0.40) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL8668930 0.78 MTNR1A (0.60) KMT2AMEN1ALDH1A1HPGDMTNR1A
SCHEMBL8673871 0.77 MME (0.63) KMT2AMEN1HSD17B10ALOX15
SCHEMBL2761181 0.77 MME (0.63) KMT2AMEN1HSD17B10ALOX15
SCHEMBL3659382 0.77 MME (0.63) KMT2AMEN1HSD17B10ALOX15
SCHEMBL29372084 0.77 MME (0.63) KMT2AMEN1HSD17B10ALOX15
SCHEMBL8669796 0.75 MTNR1A (0.63) ALDH1A1MTNR1AMTNR1BALOX15

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-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed