SCHEMBL28087654

SCHEMBL28087654

COc1cc(CC(N)C(=O)O)cc(Cl)c1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 3/20 0.47
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ HSD17B10 Q99714 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TTR P02766 2/20 0.45
▸ ADORA3 P0DMS8 2/20 0.45
▸ THRB P10828 2/20 0.45
▸ PDE4D Q08499 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ NR3C1 P04150 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ HTR1A P08908 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TBXA2R P21731 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL15085708 1.00 SLC7A5 (0.47) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7745425 0.91 SLC7A5 (0.51) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7745422 0.91 SLC7A5 (0.51) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2674665 0.90 SLC7A5 (0.52) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2931777 0.90 SLC7A5 (0.52) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2674668 0.90 SLC7A5 (0.52) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL2674679 0.90 SLC7A5 (0.52) SLC7A5MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL23387522 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL30611546 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15105436 0.87 ALDH1A1 (0.49) MEN1KMT2AALDH1A1MAPTHPGD

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
CN-105848652-A Tyrosine hydroxylase inhibitors for the treatment of intestinal hyperpermeability 史蒂文·霍夫曼 2016-08-10 — — CN disclosed
Send feedback