SCHEMBL22225992

SCHEMBL22225992

O=C(O)c1ccc2c(c1)OCCCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 5/20 0.47
MAPK1 P28482 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
STAT3 P40763 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
SRD5A2 P31213 1/20 0.40
PIR O00625 1/20 0.39
GSK3B P49841 1/20 0.39
HSF1 Q00613 1/20 0.39
TSHR P16473 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 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
SCHEMBL22227204 0.97 MAPT (0.56) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL29566033 0.90 MAPT (0.55) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL4290086 0.90 MAPT (0.55) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL29363081 0.88 MAPT (0.53) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL30874422 0.82 NPC1 (0.44) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL22227191 0.82 NPC1 (0.44) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL22225987 0.81 NPC1 (0.44) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL22225997 0.80 HPGD (0.64) ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL3732847 0.80 ALDH1A1 (0.53) MAPTKDM4EALDH1A1MAPK1NPC1
SCHEMBL20580612 0.78 MAPT (0.56) MAPTKDM4EALDH1A1MAPK1NPC1

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
EP-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed
WO-2020145250-A1 15-PGDH INHIBITOR 杏林製薬株式会社 2020-07-16 WO disclosed