SCHEMBL27904456

SCHEMBL27904456

CC(=O)NC1COc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.63
MTNR1B P49286 1/20 0.56
TP53 P04637 3/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MALT1 Q9UDY8 2/20 0.53
MAPT P10636 2/20 0.52
P2RX7 Q99572 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
SCHEMBL27904454 1.00 MTNR1A (0.63) MTNR1AMTNR1BTP53LMNAPOLB
SCHEMBL28149607 0.86 MALT1 (0.58) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL28148475 0.86 TP53 (0.57) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL15045823 0.85 TP53 (0.60) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL9500888 0.84 TP53 (0.56) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL4119785 0.84 MTNR1A (0.59) MTNR1AMTNR1BTP53LMNAPOLB
SCHEMBL22472834 0.82 EPHX2 (0.59) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL31715668 0.82 TP53 (0.54) TP53LMNAPOLBMALT1MAPT
SCHEMBL31277869 0.81 TP53 (0.53) MTNR1ATP53LMNAPOLBMALT1
SCHEMBL21810914 0.81 TP53 (0.53) MTNR1ATP53LMNAPOLBMALT1

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
CN-103087105-B Chiral phosphine ligand and comprise the metal catalyst of this part and their application SHANGHAI INSTITUTE OF ORGANIC CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2015-08-05 CN disclosed
CN-103087105-A Chiral phosphine ligand and metal catalyst comprising same and application of chiral phosphine ligand and metal catalyst SHANGHAI INST ORGANIC CHEM 2013-05-08 CN disclosed