SCHEMBL8879142

SCHEMBL8879142

CC(C)(O)c1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.46
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1C3 P42330 2/20 0.39
CA12 O43570 3/20 0.39
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 3/20 0.39
CA9 Q16790 3/20 0.39
CA14 Q9ULX7 3/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.38
NR4A1 P22736 1/20 0.38

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
SCHEMBL6558525 0.89 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22635 0.86 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29963833 0.86 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31229322 0.86 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1355526 0.86 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29399939 0.86 ALOX15 (0.47) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28528741 0.85 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5550242 0.85 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10
Water SCHEMBL28274879 0.85 ALOX15 (0.46) ALOX15ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8878983 0.82 ALDH1A1 (0.57) ALOX15ALDH1A1KDM4EHPGDHSD17B10

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-5594140-A Imidazo[1,5-A]quinolines for treatment of anxiety and sleep disorders THE UPJOHN COMPANY (US) 1997-01-14 US disclosed