SCHEMBL7300708

SCHEMBL7300708

O=C(Nc1ccc2ccccc2c1)O[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.60
PPARA Q07869 6/20 0.60
RAB9A P51151 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 2/20 0.49
CYP1A2 P05177 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SCN9A Q15858 1/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ACE P12821 1/20 0.47
UTS2R Q9UKP6 1/20 0.47
SRR Q9GZT4 2/20 0.47
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7302122 0.83 RAB9A (0.56) PPARGPPARARAB9AMAPTNPC1
SCHEMBL16742493 0.81 FPR2 (0.58) PPARGPPARARAB9ANPC1MEN1
SCHEMBL19563266 0.81 FPR2 (0.58) PPARGPPARARAB9ANPC1MEN1
SCHEMBL23397877 0.78 ACE (0.41) PPARGPPARAMAPTCYP1A2MEN1
SCHEMBL7308247 0.76 KMT2A (0.60) PPARGPPARARAB9AMAPTNPC1
SCHEMBL4432278 0.76 MGLL (0.65) RAB9AMAPTNPC1CYP1A2MEN1
SCHEMBL30207797 0.76 MGLL (0.65) RAB9AMAPTNPC1CYP1A2MEN1
SCHEMBL3046273 0.76 PPARG (1.00) PPARGPPARA
SCHEMBL11396978 0.76 KDM4E (0.60) RAB9AMAPTNPC1CYP1A2MEN1
SCHEMBL7301106 0.76 RAB9A (0.52) RAB9AMAPTNPC1CYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0520336-A2 Aldehyde derivatives and their use as calpain inhibitors FUJIREBIO Inc. (JP) 1992-12-30 EP disclosed