SCHEMBL7201704

SCHEMBL7201704

CC(C)(C)OC(=O)C(N)(CCCC(=O)O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.42
HIF1A Q16665 1/20 0.42
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
ADRA1A P35348 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9543954 0.91 CYP2C19 (0.45) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL27590207 0.84 CYP2C19 (0.38) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL28356647 0.84 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL7077556 0.84 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL6704312 0.84 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MAPT
Ammonia Solution, Strong SCHEMBL28873439 0.82 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL28750864 0.82 CYP2C19 (0.41) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL7445828 0.82 LTB4R (0.44) MAPTRXFP1
SCHEMBL6464415 0.82 CYP2C19 (0.56) CYP2C19HIF1ACYP1A2CYP2D6MAPT
SCHEMBL27823794 0.82 CYP2C19 (0.56) CYP2C19HIF1ACYP1A2CYP2D6MAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644772-B1 OPIOID PEPTIDES SOD CONSEILS RECH APPLIC (FR) 2003-04-02 EP disclosed
US-5663295-A ANALGESIC, ANTIDIARRHEA BIOMEASURE INC. (US) 1997-09-02 US disclosed
EP-0644772-A4 OPIOID PEPTIDES. BIOMEASURE INC (US) 1997-01-29 EP disclosed
EP-0644772-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1995-03-29 EP disclosed
WO-1994011018-A1 OPIOID PEPTIDES BIOMEASURE, INC. (US) 1994-05-26 WO disclosed