SCHEMBL8688641

SCHEMBL8688641

C=CCC(N)(C(=O)O)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.47
HIF1A Q16665 1/20 0.47
ALDH1A1 P00352 5/20 0.44
TSHR P16473 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 2/20 0.41
TGM2 P21980 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PTPRC P08575 1/20 0.39
PTPN1 P18031 1/20 0.39

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
SCHEMBL14847458 0.82 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1TSHRHCAR2TDP1
SCHEMBL27469426 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL7653623 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL9110900 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL383648 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL24425865 0.81 ALDH1A1 (0.49) ALDH1A1TSHRHCAR2TDP1MAPK1
SCHEMBL9073323 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL5972169 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL8706009 0.81 SMN1; SMN2 (0.68) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1
SCHEMBL9110895 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HIF1AALDH1A1HCAR2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5756832-A REACTING AN ALDHYDE WITH AN ORTHOFORMATE IN THE PRESENCE OF AN ACID CATALYST AND AN ALCOHOL BRISTOL-MYERS SQUIBB CO. (US) 1998-05-26 US disclosed
US-5672599-A DUAL ACTION ANGIOTENSIN CONVERTING ENZYME INHIBITORS AND NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-09-30 US disclosed
US-5670699-A Process for preparing amino acid esters useful as intermediates for compounds containing a fused bicyclic ring BRISTOL-MYERS SQUIBB CO. (US) 1997-09-23 US disclosed