SCHEMBL7434246

SCHEMBL7434246

CC(=O)[C@@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MMP8 P22894 1/20 0.53
CTSB P07858 2/20 0.51
ALOX15 P16050 1/20 0.50
ELANE P08246 1/20 0.49
TACR1 P25103 1/20 0.49
MDM2 Q00987 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CTRB1 P17538 2/20 0.48
SLC15A1 P46059 1/20 0.47
LTA4H P09960 1/20 0.47
LAP3 P28838 1/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 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
SCHEMBL22507577 1.00 ALDH1A1 (0.59) ALDH1A1MMP8CTSBALOX15ELANE
SCHEMBL26757664 1.00 ALDH1A1 (0.59) ALDH1A1MMP8CTSBALOX15ELANE
SCHEMBL3523749 0.91 ALDH1A1 (0.50) ALDH1A1MMP8CTSBALOX15ELANE
SCHEMBL1555297 0.89 ALDH1A1 (0.57) ALDH1A1MMP8CTSBMDM2MAPK1
SCHEMBL7298214 0.87 ALDH1A1 (0.55) ALDH1A1MMP8CTSBMDM2MAPK1
SCHEMBL26758250 0.87 ALDH1A1 (0.49) ALDH1A1MMP8CTSBELANETACR1
SCHEMBL10708405 0.86 ALDH1A1 (0.59) ALDH1A1MMP8CTSBALOX15ELANE
SCHEMBL856250 0.86 MMP8 (0.69) ALDH1A1MMP8MDM2MAPK1L3MBTL1
SCHEMBL17156384 0.86 ALDH1A1 (0.47) ALDH1A1MMP8CTSBALOX15MDM2
SCHEMBL10415038 0.85 ALDH1A1 (0.58) ALDH1A1CTSBALOX15ELANEMAPK1

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
US-4826815-A HYPOTENSIVE ABBOTT LABORATORIES (US) 1989-05-02 US disclosed