SCHEMBL8070685

SCHEMBL8070685

CC(=O)NC(c1ccccc1)C(O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.47
LMNA P02545 4/20 0.45
MAPK1 P28482 1/20 0.45
KEAP1 Q14145 2/20 0.44
NFE2L2 Q16236 2/20 0.44
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
HPGD P15428 2/20 0.42
CYP2D6 P10635 1/20 0.42
HDAC1 Q13547 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 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
SCHEMBL7139715 1.00 SRC (0.47) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL571797 0.85 LMNA (0.48) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL162139 0.85 LMNA (0.48) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL14691171 0.85 LMNA (0.48) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL190036 0.85 LMNA (0.48) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL31477299 0.84 KMT2A (0.53) LMNAMTNR1AMTNR1BHPGDALDH1A1
SCHEMBL24015849 0.83 MTNR1A (0.49) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL30819117 0.83 MTNR1A (0.49) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL24015864 0.83 MTNR1A (0.49) SRCLMNAMAPK1KEAP1NFE2L2
SCHEMBL19658444 0.83 AOC3 (0.55) SRCLMNAMTNR1AMTNR1BHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6025516-A Resolution of 2-hydroxy-3-amino-3-phenylpropionamide and its conversion to C-13 sidechain of taxanes CHIRAGENE, INC. (US) 2000-02-15 US disclosed
WO-1998027051-A9 CATALYTIC ASYMMETRIC AMIDOHYDROXYLATION OF OLEFINS WITH N-HALO CARBOXAMIDES 1998-11-12 WO disclosed
WO-1998027051-A2 CATALYTIC ASYMMETRIC AMIDOHYDROXYLATION OF OLEFINS WITH N-HALO CARBOXAMIDES THE SCRIPPS RESEARCH INSTITUTE (US) 1998-06-25 WO disclosed
CN-1102829-A Synthesis of taxol, taxol analogs and intermediates thereof and compositions thereof BRYN MAWR COLLEGE (US) 1995-05-24 CN disclosed