SCHEMBL22606458

SCHEMBL22606458

CCCOCCOCCOCCNC(=O)COC

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
EPHX2 P34913 1/20 0.42
TSHR P16473 3/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 4/20 0.40
SPR P35270 1/20 0.39
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
CNR1 P21554 1/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLP1R P43220 2/20 0.35

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
SCHEMBL22606455 1.00 MEN1 (0.43) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL22802989 1.00 MEN1 (0.43) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL20327715 0.98 EPHX2 (0.43) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL8537710 0.92 MEN1 (0.48) MEN1KMT2ATSHRRECQLHPGD
SCHEMBL8537552 0.92 MEN1 (0.48) MEN1KMT2ATSHRRECQLHPGD
SCHEMBL8536337 0.90 TSHR (0.45) MEN1KMT2ATSHRRECQLHPGD
SCHEMBL26252508 0.89 TSHR (0.41) MEN1KMT2AEPHX2TSHRRECQL
SCHEMBL24508454 0.89 MEN1 (0.47) MEN1KMT2ATSHRRECQLHPGD
SCHEMBL22856422 0.89 ALDH1A1 (0.47) MEN1KMT2AEPHX2TSHRHPGD
SCHEMBL15888695 0.89 ALDH1A1 (0.47) MEN1KMT2AEPHX2TSHRHPGD

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-2020219650-A1 DEGRADERS OF CYCLIN-DEPENDENT KINASE 12 (CDK12) AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-10-29 WO disclosed