SCHEMBL1768331

SCHEMBL1768331

CC(C(=O)OCc1ccccc1)c1ccc(-c2cccc(Cl)c2Cl)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.44
▸ PTGS2 P35354 4/20 0.42
▸ PPARG P37231 2/20 0.42
▸ PPARA Q07869 2/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ PSEN1 P49768 1/20 0.41
▸ PSEN2 P49810 1/20 0.41
▸ APH1B Q8WW43 1/20 0.41
▸ NCSTN Q92542 1/20 0.41
▸ APH1A Q96BI3 1/20 0.41
▸ PSENEN Q9NZ42 1/20 0.41
▸ PGR P06401 1/20 0.40
▸ ADORA3 P0DMS8 1/20 0.40
▸ PTGS1 P23219 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ AKR1C3 P42330 1/20 0.39
▸ AKR1C2 P52895 1/20 0.39

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
SCHEMBL6792877 0.81 ALDH1A1 (0.58) PTGS2PPARGPPARAPGRADORA3
SCHEMBL6792870 0.81 ALDH1A1 (0.58) PTGS2PPARGPPARAPGRADORA3
E1501 SCHEMBL28758534 0.81 ALDH1A1 (0.61) ELANEDHODHPTGS1SLC6A2ALDH1A1
SCHEMBL28968069 0.80 PSEN1 (0.52) ELANEPTGS2PPARGPPARAPSEN1
SCHEMBL1768169 0.80 PTGS2 (0.57) PTGS2DHODHPSEN1PSEN2APH1B
SCHEMBL1768327 0.80 AKR1C3 (0.55) ELANEPTGS2PPARGPPARADHODH
SCHEMBL4007604 0.78 ALDH1A1 (0.58) PPARGPPARAPGRADORA3PTGS1
SCHEMBL23876179 0.78 ALDH1A1 (0.47) ELANEPTGS2PPARGPPARAPSEN1
SCHEMBL5182481 0.77 LMNA (0.56) PTGS2PPARGPPARAPGRADORA3
SCHEMBL9234482 0.77 LMNA (0.56) PTGS2PPARGPPARAPGRADORA3

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
WO-2011061271-A1 SUBSTITUTED CARBAMOYLMETHYLAMINO ACETIC ACID DERIVATIVES AS NOVEL NEP INHIBITORS NOVARTIS AG (CH) 2011-05-26 — — WO disclosed
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