SCHEMBL8534162

SCHEMBL8534162

COc1cccc(SC(=O)CC(=O)Sc2cccc(OC)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.56
MTNR1B P49286 14/20 0.56
TERT O14746 1/20 0.51
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49
LMNA P02545 1/20 0.47

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
SCHEMBL28470846 0.82 MTNR1A (0.55) MTNR1AMTNR1BTERTCES2CES1
SCHEMBL11657930 0.81 MTNR1A (0.51) MTNR1AMTNR1BTERTCES2CES1
SCHEMBL11663550 0.81 MTNR1A (0.48) MTNR1AMTNR1BTERTCES2CES1
SCHEMBL11663641 0.81 MTNR1B (0.55) MTNR1AMTNR1BTERT
SCHEMBL2331824 0.80 NPC1 (0.50) MTNR1AMTNR1BLMNA
SCHEMBL11663805 0.79 MTNR1A (0.53) MTNR1AMTNR1BLMNA
SCHEMBL11661819 0.79 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL11658674 0.78 MTNR1A (0.56) MTNR1AMTNR1BTERTCES2CES1
SCHEMBL11665110 0.77 MTNR1B (0.51) MTNR1AMTNR1BTERT
SCHEMBL11664538 0.77 MTNR1A (0.59) MTNR1AMTNR1B

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-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed