SCHEMBL5608948

SCHEMBL5608948

CC(C)(C)C(Cc1ccc(O)cc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.49
TAAR1 Q96RJ0 3/20 0.48
SLC6A2 P23975 1/20 0.48
ESR1 P03372 6/20 0.46
ESR2 Q92731 5/20 0.46
BLM P54132 1/20 0.46
CA2 P00918 1/20 0.46
EPHX1 P07099 1/20 0.42
ESRRG P62508 1/20 0.40

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
SCHEMBL15426320 0.84 EPHX1 (0.53) SLC7A5TAAR1SLC6A2EPHX1
SCHEMBL14591098 0.84 EPHX1 (0.53) SLC7A5TAAR1SLC6A2EPHX1
SCHEMBL1579881 0.84 SLC7A5 (0.55) SLC7A5TAAR1SLC6A2ESR1ESR2
Methane SCHEMBL8628687 0.82 SLC7A5 (0.53) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL1704939 0.82 ESR1 (0.46) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL20589394 0.81 LDHA (0.56) CA2EPHX1
SCHEMBL10272387 0.81 ESR1 (0.45) SLC7A5TAAR1SLC6A2ESR1ESR2
SCHEMBL5139885 0.81 EPHX1 (0.38) SLC7A5CA2EPHX1
SCHEMBL9969508 0.80 CA2 (0.52) CA2
SCHEMBL24443534 0.79 ESR1 (0.59) SLC7A5TAAR1SLC6A2ESR1ESR2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458509-B1 Oxidation-resistant ethylene vinyl alcohol polymer compositions DU PONT (US) 1996-07-17 EP claimed
CN-115551978-A Detergent compositions containing branched surfactants 宝洁公司 2022-12-30 CN disclosed
EP-2427451-B1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CO LTD (JP) 2019-03-20 EP disclosed
WO-2013017528-A1 GREASE COMPOSITION SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2013-02-07 WO disclosed
CN-101411677-A Cosmetic composition comprising a polyester and a branched hydrocarbon compound OREAL (FR) 2009-04-22 CN disclosed
EP-1769015-A1 SULFONATED AROMATIC COPOLYESTERS CONTAINING HYDROXYALKANOIC ACID GROUPS AND SHAPED ARTICLES PRODUCED THEREFROM E.I.Du pont de nemours and company (US) 2007-04-04 EP disclosed
WO-2006010063-A1 SULFONATED AROMATIC COPOLYESTERS CONTAINING HYDROXYALKANOIC ACID GROUPS AND SHAPED ARTICLES PRODUCED THEREFROM E.I. DUPONT DE NEMOURS AND COMPANY (US) 2006-01-26 WO disclosed
WO-2002079173-A1 BENZOTRIAZOLES AND THEIR USE AS UV LIGHT STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-10-10 WO disclosed
EP-1086172-A1 THERMOSTABLE SEGMENTED POLYETHERESTER COPOLYMER COMPOSITION DSM N.V. (NL) 2001-03-28 EP disclosed
WO-1999062995-A1 THERMOSTABLE SEGMENTED POLYETHERESTER COPOLYMER COMPOSITION DSM N.V. (NL) 1999-12-09 WO disclosed
EP-0353768-B1 Thermoplastic copolyetherester elastomers DU PONT (US) 1996-01-17 EP disclosed
EP-0353768-A2 Thermoplastic copolyetherester elastomers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-02-07 EP disclosed