SCHEMBL11699147

SCHEMBL11699147

COc1cc(C)cc(C[C@H](N)C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 6/20 0.65
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
THRB P10828 3/20 0.48
ADORA3 P0DMS8 3/20 0.48
HSD17B10 Q99714 3/20 0.48
LMNA P02545 2/20 0.48
TTR P02766 2/20 0.48
PDE4D Q08499 2/20 0.48
THRA P10827 2/20 0.48
USP2 O75604 2/20 0.48
ALOX15 P16050 2/20 0.48
PTGS2 P35354 2/20 0.48
NR3C1 P04150 1/20 0.48
CYP1A2 P05177 1/20 0.48
HTR1A P08908 1/20 0.48
CYP2C9 P11712 1/20 0.48
TBXA2R P21731 1/20 0.48
NTSR1 P30989 1/20 0.48
HTR2B P41595 1/20 0.48

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
Hydrochloric Acid SCHEMBL11701246 0.98 SLC7A5 (0.63) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL21689950 0.90 SLC7A5 (0.55) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL28652541 0.86 SLC7A5 (0.52) SLC7A5KMT2ATACR1ALDH1A1CYP3A4
SCHEMBL19231087 0.85 SLC7A5 (0.69) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL5324111 0.85 SLC7A5 (0.69) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL5325945 0.83 SLC7A5 (0.49) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL10676768 0.83 SLC7A5 (0.49) SLC7A5KMT2AMEN1THRBADORA3
SCHEMBL29855157 0.78 TAAR1 (0.66) SLC7A5CYP1A2PTGS1ALPIPKM
SCHEMBL146611 0.78 TAAR1 (0.66) SLC7A5CYP1A2PTGS1ALPIPKM
SCHEMBL4596077 0.78 TAAR1 (0.66) SLC7A5CYP1A2PTGS1ALPIPKM

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-4058642-A HYPERTENSIVE BOEHRINGER INGELHEIM GMBH (DT) 1977-11-15 US disclosed