SCHEMBL7635507

SCHEMBL7635507

O=C(O)CN(CC(=O)O)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
PLA2G10 O15496 1/20 0.48
PLA2G2A P14555 1/20 0.48
LTA4H P09960 1/20 0.47
NR3C1 P04150 1/20 0.46
CALM1 P0DP23 1/20 0.46
AKR1B1 P15121 1/20 0.43
CYP2C9 P11712 1/20 0.43
HNF4A P41235 1/20 0.43
FFAR1 O14842 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR2 P34972 1/20 0.42
IDH1 O75874 1/20 0.41
KEAP1 Q14145 1/20 0.41
POLB P06746 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41

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
SCHEMBL18360374 0.94 POLB (0.44) LMNAPLA2G10PLA2G2ALTA4HNR3C1
SCHEMBL12311123 0.85 ALDH1A1 (0.61) LTA4HTDP1
SCHEMBL202173 0.83 TDP1 (0.50) PLA2G2AAKR1B1CYP2C9TDP1POLB
SCHEMBL8038936 0.83 TDP1 (0.44) LMNAPLA2G2ANR3C1TDP1KEAP1
SCHEMBL13644999 0.80 LMNA (0.50) LMNAFFAR1TDP1
SCHEMBL13647724 0.80 ALDH1A1 (0.41) LMNAPLA2G2ALTA4HNR3C1TDP1
SCHEMBL18719869 0.80 LTA4H (0.35) LMNAPLA2G10PLA2G2ALTA4HNR3C1
SCHEMBL5189401 0.78 TSHR (0.57) LMNANR3C1AKR1B1CNR2POLB
SCHEMBL339416 0.78 ALDH1A1 (0.50) LMNAPLA2G2APOLB
SCHEMBL7637806 0.77 TSHR (0.46) LMNANR3C1FFAR1TDP1KEAP1

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-6458869-B1 ETCHANT/PRIMER COMPOSITION, AN ETCHANT/PRIMER/ADHESIVE MONOMER COMPOSITION, KITS USING THE SAME AND METHODS USING THE SAME FOR IMPROVED BONDING TO DENTAL STRUCTURES. THE ETCHANT/PRIMER COMPOSITION COMPRISES A COMPOUND HAVING THE NATIONAL INSTITUTE OF STANDARDS OF TECHNOLOGY 2002-10-01 US disclosed