SCHEMBL9873469

SCHEMBL9873469

COc1ccc(OC)c(C(=O)CCC(=O)N2CCCC2C(O)C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.43
ALDH1A1 P00352 4/20 0.41
ALOX15 P16050 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
GFER P55789 1/20 0.41
HSD11B1 P28845 1/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ACE P12821 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 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
SCHEMBL9873491 1.00 CAPN1 (0.43) CAPN1ALDH1A1ALOX15HTR2AHTR2C
SCHEMBL9872536 0.77 ALDH1A1 (0.46) CAPN1ALDH1A1ALOX15HTR2AHTR2C
SCHEMBL9874068 0.75 L3MBTL1 (0.53) ALDH1A1HTR2AMAPTLMNASMN1; SMN2
SCHEMBL9873839 0.75 PREP (0.62) ALDH1A1GFERMAPTMAPK1ACE
SCHEMBL9873842 0.75 PREP (0.62) ALDH1A1GFERMAPTMAPK1ACE
SCHEMBL4385546 0.73 KMT2A (0.61) ALDH1A1TSHRMEN1KMT2A
SCHEMBL9875180 0.72 ALDH1A1 (0.50) ALDH1A1HSD11B1LMNASMN1; SMN2POLB
SCHEMBL9875176 0.72 ALDH1A1 (0.50) ALDH1A1HSD11B1LMNASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL4378952 0.72 KMT2A (0.60) ALDH1A1TSHRMEN1KMT2A
SCHEMBL9873608 0.72 MEN1 (0.49) ALDH1A1HSD11B1KDM4EMAPK1LMNA

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-5051444-A Pyrrolidine derivatives as anti-amnesia agents SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-09-24 US disclosed
US-4880827-A Pyrrolidine derivatives having inhibitory action for proline specific endopepidase SUMITOMO PHARMACEUTICALS COMPANY, LTD. (JP) 1989-11-14 US disclosed
EP-0238319-A1 Pyrrolidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1987-09-23 EP disclosed