SCHEMBL6970962

SCHEMBL6970962

C#CC(O)c1ccc(OCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.44
PSEN1 P49768 3/20 0.42
PSEN2 P49810 3/20 0.42
APH1B Q8WW43 3/20 0.42
NCSTN Q92542 3/20 0.42
APH1A Q96BI3 3/20 0.42
PSENEN Q9NZ42 3/20 0.42
CNR1 P21554 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
HTRA1 Q92743 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 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
SCHEMBL8958894 0.82 CNR1 (0.53) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL9772363 0.81 RAB9A (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL7376856 0.79 ALDH1A1 (0.55) MEN1KMT2AALDH1A1TSHRSMN1; SMN2
SCHEMBL18746067 0.78 PTPN1 (0.46) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL11917864 0.77 PTPN1 (0.54) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL111936 0.77 ALDH1A1 (0.66) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL14652405 0.77 MAPT (0.53) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8317100 0.77 TDP1 (0.46) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL1964630 0.76 PLA2G4B (0.61) PTPN1TSHR
SCHEMBL8372961 0.76 PSEN1 (0.46) PTPN1PSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149092-B1 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
CN-1331689-A 4-and 5-alkynyloxindoles and 4-and 5-alkenyloxindoles HOFFMANN LA ROCHE (CH) 2002-01-16 CN disclosed
US-6313310-B1 JUN N-TERMINAL KINASE (JNK) ENZYME INHIBITORS; ANTIINFLAMMATORY AGENTS; RHEUMATIC ARTHRITIS AND NEURO-DEGENERATIVE DISEASE TREATMENT HOFFMANN-LA ROCHE INC. 2001-11-06 US disclosed