SCHEMBL11022202

SCHEMBL11022202

CCCc1cc(OCCCOc2ccc(/C=C/C(=O)O)cc2)cc(C(C)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.46
▸ ABCG2 Q9UNQ0 2/20 0.46
▸ PPARG P37231 3/20 0.45
▸ PPARD Q03181 3/20 0.45
▸ PPARA Q07869 3/20 0.45
▸ LMNA P02545 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ NFKB1 P19838 1/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYSLTR2 Q9NS75 2/20 0.43
▸ CYSLTR1 Q9Y271 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ MAOB P27338 1/20 0.42
▸ BCHE P06276 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ ESR1 P03372 3/20 0.42

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
SCHEMBL11020870 1.00 POLB (0.46) POLBABCG2PPARGPPARDPPARA
SCHEMBL11043542 0.80 PPARG (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11043538 0.80 PPARG (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL7648311 0.79 PPARG (0.41) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5032476 0.78 GRM2 (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL5032472 0.78 GRM2 (0.72) PPARGPPARDPPARALMNACYP1A2
SCHEMBL154581 0.77 ABCG2 (0.65) POLBABCG2PPARAMEN1KMT2A
SCHEMBL1206856 0.77 ABCG2 (0.65) POLBABCG2PPARAMEN1KMT2A
SCHEMBL11025084 0.77 PPARG (0.51) PPARGPPARDPPARALMNACYP1A2
SCHEMBL11024302 0.77 PPARG (0.51) PPARGPPARDPPARALMNACYP1A2

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-0056172-B1 PHENOXY- AND THIOPHENOXY COMPOUNDS, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM FISONS plc (GB) 1985-04-03 — — EP disclosed
Send feedback