SCHEMBL12633296

SCHEMBL12633296

CC1(CO)CCN(CCO)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 2/20 0.40
EPHX1 P07099 1/20 0.36
KMT2A Q03164 6/20 0.35
MEN1 O00255 4/20 0.35
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HSD11B1 P28845 1/20 0.33
SLC18A3 Q16572 1/20 0.32
HPGD P15428 3/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL13438122 0.81 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL12633301 0.79 OPRM1 (0.34) KDM4EEPHX1KMT2AMEN1
SCHEMBL12589181 0.79 PIM1 (0.38) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL14968300 0.79 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL3477253 0.79 KDM4E (0.46) KDM4EEPHX1KMT2AHSD11B1GAA
SCHEMBL2040859 0.78 EPHX1 (0.40) EPHX1
SCHEMBL21527167 0.78 KDM4E (0.34) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL6431471 0.77 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL12464307 0.77 PIM1 (0.34) ALDH1A1KDM4EKMT2AMEN1GAA
SCHEMBL28120001 0.76 EPHX1 (0.34) KDM4EEPHX1GAA

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
WO-2023141570-A9 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2024-06-27 WO disclosed
WO-2023141570-A2 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF KRAS ARVINAS OPERATIONS, INC. (US) 2023-07-27 WO disclosed
WO-2011073263-A1 1, 7 - DIAZACARBAZOLES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2011-06-23 WO disclosed