SCHEMBL22384052

SCHEMBL22384052

CC(C)(C)c1ccc(C(=O)NCC(Cc2ccc(-c3ncc(Br)cn3)cc2)C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 6/20 0.45
▸ PPARA Q07869 2/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ EPHX2 P34913 10/20 0.44
▸ NR1H4 Q96RI1 7/20 0.44
▸ HDAC3 O15379 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ADCY6 O43306 1/20 0.41
▸ ADCY3 O60266 1/20 0.41
▸ ADCY9 O60503 1/20 0.41
▸ ADCY5 O95622 1/20 0.41
▸ ADCY8 P40145 1/20 0.41
▸ GCGR P47871 1/20 0.41
▸ ADCY7 P51828 1/20 0.41
▸ ADCY2 Q08462 1/20 0.41
▸ ADCY1 Q08828 1/20 0.41
▸ ADCY4 Q8NFM4 1/20 0.41

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
SCHEMBL22167284 0.84 MME (0.36) PPARGPPARAEPHX2RAB9A
SCHEMBL22384241 0.84 NR1H4 (0.56) PPARGPPARAPPARDEPHX2NR1H4
SCHEMBL15018822 0.83 PTPN1 (0.47) —
SCHEMBL15018825 0.83 PTPN1 (0.47) —
SCHEMBL29129082 0.81 RAB9A (0.63) PPARGPPARAPPARDEPHX2NR1H4
SCHEMBL19517703 0.79 MMEL1 (0.50) EPHX2NR1H4
SCHEMBL16294791 0.78 CTSB (0.45) —
SCHEMBL16294368 0.77 GCGR (0.52) EPHX2NR1H4ADCY6ADCY3ADCY9
SCHEMBL16294369 0.77 GCGR (0.52) EPHX2NR1H4ADCY6ADCY3ADCY9
SCHEMBL28541531 0.77 L3MBTL1 (0.40) EPHX2NR1H4HDAC3HDAC8HDAC6

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-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 — — EP disclosed
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