SCHEMBL6544128

SCHEMBL6544128

CC(C)(Oc1ccccc1CC#N)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MGLL Q99685 1/20 0.45
SLC22A12 Q96S37 1/20 0.43
PPARG P37231 10/20 0.40
PPARA Q07869 6/20 0.40
CYP2C19 P33261 2/20 0.39
PPARD Q03181 2/20 0.39
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37

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
SCHEMBL29224676 0.82 KDM4E (0.58) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL5794671 0.80 KDM4E (0.55) ALDH1A1KDM4EHSD17B10MGLLSLC22A12
SCHEMBL5795204 0.80 KDM4E (0.55) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL11566628 0.78 KDM4E (0.54) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL4034715 0.78 PPARA (0.54) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL1009536 0.77 KDM4E (0.53) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL1010961 0.77 TAAR1 (0.53) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL4033438 0.77 KDM4E (0.53) ALDH1A1KDM4EHSD17B10MGLLPPARG
SCHEMBL9185044 0.76 ALDH1A1 (0.37) ALDH1A1MAPTKMT2ATSHRHPGD
SCHEMBL3088146 0.75 TSHR (0.36) ALDH1A1KMT2ATSHRHPGDCTSS

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-1433786-A1 Benzoxazole compound and pharmaceutical composition containing the compound Kowa Company Ltd. (JP) 2004-06-30 EP disclosed
US-6653334-B1 Electively activate peroxisome proliferator activated receptors KOWA CO., LTD. (JP) 2003-11-25 US disclosed