SCHEMBL9874971

SCHEMBL9874971

CCCCOc1ccc(C(=O)CCC(=O)N2CCCC2C(=O)C(=O)OCC)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
HRH2 P25021 9/20 0.50
HRH1 P35367 9/20 0.50
THRB P10828 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 2/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
ADRA2C P18825 1/20 0.50
DRD4 P21917 1/20 0.50
ACHE P22303 1/20 0.50
SLC6A2 P23975 1/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
SLC6A3 Q01959 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL9871268 0.85 PREP (0.56) ALDH1A1MAPTKMT2A
SCHEMBL9872322 0.84 PREP (0.44) HRH2HRH1ALDH1A1LMNACHRM2
SCHEMBL9874068 0.77 L3MBTL1 (0.53) L3MBTL1HRH2HRH1THRBALDH1A1
SCHEMBL9872536 0.77 ALDH1A1 (0.46) ALDH1A1LMNAHTR2AMAPTSMN1; SMN2
SCHEMBL9871405 0.74 ALDH1A1 (0.60) L3MBTL1ALDH1A1LMNACYP2C9MAPT
SCHEMBL10700120 0.73 L3MBTL1 (0.72) L3MBTL1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL9873982 0.73 ALDH1A1 (0.61) L3MBTL1ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL9257303 0.73 MEN1 (0.52) ALDH1A1LMNAMEN1KMT2A
SCHEMBL9873751 0.72 ALDH1A1 (0.57) L3MBTL1ALDH1A1KMT2A
SCHEMBL9874746 0.72 ALDH1A1 (0.56) L3MBTL1ALDH1A1

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