SCHEMBL8530908

SCHEMBL8530908

C[C@@H](C(=O)O)N(CN)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 2/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.40
GLA P06280 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ALOX5 P09917 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
SCHEMBL27537083 1.00 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL3343171 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL3343176 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL27556937 0.83 KMT2A (0.45) ALDH1A1SMN1; SMN2TP53LMNANPSR1
SCHEMBL27577105 0.82 MEN1 (0.46) ALDH1A1SMN1; SMN2TP53LMNATSHR
Hydrochloric Acid SCHEMBL8940097 0.81 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL547805 0.81 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL8334403 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL9632869 0.80 TP53 (0.46) ALDH1A1SMN1; SMN2TP53LMNATSHR
SCHEMBL11794843 0.80 MEN1 (0.49) ALDH1A1SMN1; SMN2LMNATSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
EP-0657174-A1 Use of somatostatin MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 1995-06-14 EP disclosed