SCHEMBL9765140

SCHEMBL9765140

NCCc1ccc(C(=O)CCC(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.69
NR4A2 P43354 1/20 0.57
KMT2A Q03164 2/20 0.56
RAB9A P51151 2/20 0.55
FFAR1 O14842 2/20 0.55
LMNA P02545 1/20 0.55
CYP1A2 P05177 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
ALDH1A1 P00352 2/20 0.52
CYP2C19 P33261 2/20 0.52
GAA P10253 1/20 0.52
USP5 P45974 1/20 0.51
MMP2 P08253 1/20 0.47
MMP12 P39900 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
NPC1 O15118 1/20 0.46
CASP3 P42574 1/20 0.46
SENP8 Q96LD8 1/20 0.46

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 SCHEMBL10463257 0.98 L3MBTL1 (0.67) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL27498318 0.85 L3MBTL1 (0.62) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL12064824 0.83 L3MBTL1 (0.71) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL31512079 0.83 L3MBTL1 (0.71) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL4845038 0.82 FFAR1 (0.65) L3MBTL1KMT2AFFAR1LMNASMN1; SMN2
SCHEMBL10353454 0.82 NR4A2 (0.81) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL10453048 0.81 L3MBTL1 (0.59) L3MBTL1KMT2ACYP1A2SMN1; SMN2ALDH1A1
SCHEMBL4265689 0.81 L3MBTL1 (1.00) L3MBTL1NR4A2KMT2ARAB9AFFAR1
SCHEMBL11134116 0.81 L3MBTL1 (0.54) L3MBTL1KMT2ARAB9AFFAR1LMNA
SCHEMBL2652443 0.80 NR4A2 (0.65) L3MBTL1NR4A2KMT2ARAB9AFFAR1

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-5037990-A Antagonist, antagonism, bronchodilator; antiischemic agents, treatment of cardiovascular disorder, kidney dialysis; and antiulcer agent BOEHRINGER MANNHEIM GMBH (DE) 1991-08-06 US disclosed
US-4948809-A TREATMENT OF AILMENTS DUE TO THROMBOCYTE AGGREGATION OR KIDNEY DYSFUNCTION BOEHRINGER MANNHEIM GMBH (DE) 1990-08-14 US disclosed