SCHEMBL4400934

SCHEMBL4400934

CC1=CC(=O)N(CC2CCC(C=O)CC2)C1=O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 3/20 0.34
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL20993084 0.81
SCHEMBL20057288 0.79 BRD4 (0.37) CYP1B1KDM4EALDH1A1CYP3A4GAA
SCHEMBL24939703 0.79 CREBBP (0.39) KDM4EALDH1A1HPGDLMNA
SCHEMBL16484921 0.78 CYP1B1 (0.35) CYP1B1POLBALDH1A1CYP3A4HPGD
SCHEMBL5495765 0.78 CYP1B1 (0.35) CYP1B1POLBALDH1A1CYP3A4HPGD
SCHEMBL22601621 0.76 LMNA (0.32) CYP1B1LMNA
SCHEMBL1920814 0.73 HTR1A (0.37) POLB
SCHEMBL4397980 0.71 ALDH1A1 (0.32) ALDH1A1LMNA
SCHEMBL5970129 0.71 CNR2 (0.31)
SCHEMBL16708705 0.70 TP53 (0.44) POLBKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2496270-B1 ZIRCONIUM-RADIOLABELED, CYSTEINE ENGINEERED ANTIBODY CONJUGATES HOFFMANN LA ROCHE (CH) 2018-01-31 EP disclosed
EP-2793928-B1 PROCESS FOR PURIFYING A SAMPLE OF H38C2 ANTIBODY PFIZER (US) 2017-03-15 EP disclosed
WO-2013093720-A2 ANTI-DIABETIC COMPOUNDS PFIZER INC. (US) 2013-06-27 WO disclosed
WO-2012059873-A2 ANTI-DIABETIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2012-05-10 WO disclosed