SCHEMBL11040129

SCHEMBL11040129

COc1ccc(-c2nc(SC(O)C(=O)O)sc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.58
▸ PPARG P37231 7/20 0.58
▸ PPARD Q03181 5/20 0.58
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ LMNA P02545 1/20 0.52
▸ GAA P10253 1/20 0.52
▸ PTGS2 P35354 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ TDP1 Q9NUW8 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
SCHEMBL11042401 0.86 PTGS2 (0.46) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL11041567 0.85 PPARD (0.43) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL10801302 0.79 PPARD (0.61) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL10801295 0.78 ALDH1A1 (0.54) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL11037795 0.78 ALDH1A1 (0.59) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL10797270 0.78 PPARG (0.61) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL11040651 0.77 PPARD (0.56) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL11040051 0.77 ALDH1A1 (0.58) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL11043213 0.77 PPARD (0.47) PPARAPPARGPPARDALDH1A1MAPT
SCHEMBL10969883 0.76 PPARG (0.66) PPARAPPARGPPARDALDH1A1MAPT

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-4451471-A Certain 2,4,5-tri-substituted thiazoles, pharmaceutical compositions containing same and methods of using same CIBA-GEIGY CORPORATION (US) 1984-05-29 — — US disclosed
Send feedback