SCHEMBL9501243

SCHEMBL9501243

COC(=O)[C@@H]1CCCN1C(=O)CC(C)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.49
GAA P10253 1/20 0.48
FKBP1A P62942 2/20 0.47
ACE P12821 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TSHR P16473 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PTGS1 P23219 1/20 0.44
CYP3A4 P08684 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9500411 0.91 ALDH1A1 (0.50) ACEALDH1A1TSHRNPC1HPGD
SCHEMBL9501712 0.87 PREP (0.48) ALDH1A1TSHRNPC1HPGDRAB9A
SCHEMBL9501238 0.78 FKBP1A (0.54) KLK5GAAFKBP1AACENPC1
SCHEMBL9501764 0.78 ACE (0.55) ACEALDH1A1TSHRNPC1HPGD
SCHEMBL7013528 0.74 PREP (0.57) ALDH1A1TSHRNPC1HPGDRAB9A
SCHEMBL10756387 0.74 LTA4H (0.56) KLK5ACEALDH1A1NPC1HPGD
SCHEMBL11141447 0.73 PTGS1 (0.65) SMN1; SMN2PTGS1MEN1KMT2A
SCHEMBL26213384 0.73 POLB (0.50) KLK5FKBP1AACEALDH1A1RAB9A
SCHEMBL13885358 0.73 POLB (0.50) KLK5FKBP1AACEALDH1A1RAB9A
SCHEMBL6639156 0.73 ACE (0.59) KLK5FKBP1AACEALDH1A1TSHR

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
EP-0232849-B1 PYRROLIDINEAMIDE DERIVATIVE OF ACYLAMINO ACID, PHARMACEUTICAL COMPOSITION AND USE SUNTORY LIMITED (JP) 1993-05-05 EP disclosed
US-4826870-A CURING AMNESIA SUNTORY LIMITED (JP) 1989-05-02 US disclosed
EP-0232849-A2 Pyrrolidineamide derivative of acylamino acid, pharmaceutical composition and use SUNTORY LIMITED (JP) 1987-08-19 EP disclosed