SCHEMBL5282041

SCHEMBL5282041

O=C(O)C(C(=O)O)N(C(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 2/20 0.44
RAB9A P51151 2/20 0.41
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
TSHR P16473 4/20 0.39
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
DAO P14920 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
MAPK1 P28482 1/20 0.38
MLYCD O95822 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL2342911 0.78 ALDH1A1 (0.50) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4607473 0.78 ALDH1A1 (0.50) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL4607464 0.78 ALDH1A1 (0.50) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11141654 0.78 LMNA (0.46) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL2543696 0.77 ALDH1A1 (0.63) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13603789 0.76 NPSR1 (0.48) NPSR1ALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL7621077 0.76 TDP1 (0.43) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13519347 0.76 ALDH1A1 (0.52) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL18491075 0.74 ALDH1A1 (0.42) NPSR1ALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11178102 0.73 NPSR1 (0.44) NPSR1ALDH1A1LMNASMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1866416-A2 DELIVERY SYSTEMS AND METHODS FOR DIAGNOSING AND TREATING CARDIOVASCULAR DISEASES Medstar Health Inc. (US) 2007-12-19 EP claimed
WO-2006102395-A2 DELIVERY SYSTEMS AND METHODS FOR DIAGNOSING AND TREATING CARDIOVASCULAR DISEASES MEDSTAR HEALTH INC (US) 2006-09-28 WO claimed
US-11059886-B1 Methods and compositions for treating inflammatory or autoimmune diseases or conditions using GRM8 activators FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-07-13 US disclosed
EP-2580215-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS Afraxis, Inc. (US) 2013-04-17 EP disclosed
WO-2011156775-A2 8-(2'-HETEROCYCYL)PYRIDO[2.3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2011-12-15 WO disclosed