SCHEMBL3707871

SCHEMBL3707871

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
NPY5R Q15761 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AAK1 Q2M2I8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL342577 0.77 MEN1 (0.33) HDAC1HDAC2
SCHEMBL16584643 0.77 MEN1 (0.33) HDAC1HDAC2
SCHEMBL24443479 0.75 LMNA (0.40) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL30361364 0.74 NR1H2 (0.39) L3MBTL1AAK1CYP2D6LMNAMAPK1
SCHEMBL5131533 0.72 CYP1A2 (0.39) TDP1ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL5131536 0.72 CYP1A2 (0.39) TDP1ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL3632878 0.72 NPY5R (0.41) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL636115 0.72 AAK1 (0.47) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL9382586 0.72 SMN1; SMN2 (0.41) TDP1ALDH1A1TSHRHSD17B10CYP1A2
SCHEMBL642839 0.72 SMN1; SMN2 (0.41) TDP1ALDH1A1TSHRHSD17B10CYP1A2

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
WO-2010093849-A2 PHENYLALANINE AMIDE DERIVATIVES USEFUL FOR TREATING INSULIN-RELATED DISEASES AND CONDITIONS AMGEN INC. (US) 2010-08-19 WO disclosed