SCHEMBL29038852

SCHEMBL29038852

CC1(C)COB(c2ccc3oc(=O)n(CC(F)F)c3c2)O1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 9/20 0.38
KMT2A Q03164 2/20 0.37
CD74 P04233 2/20 0.36
MIF P14174 2/20 0.36
CBX7 O95931 2/20 0.34
CDYL2 Q8N8U2 2/20 0.34
CDYL Q9Y232 2/20 0.34
CDY1; CDY1B Q9Y6F8 2/20 0.34
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
CTSC P53634 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL30538037 1.00 IDO1 (0.38) IDO1KMT2ACD74MIFCBX7
SCHEMBL16932236 0.89 IDO1 (0.39) IDO1KMT2ACD74MIFCBX7
SCHEMBL30538024 0.86 MIF (0.36) IDO1KMT2ACD74MIFNOS3
SCHEMBL29038870 0.86 MIF (0.36) IDO1KMT2ACD74MIFNOS3
SCHEMBL29038838 0.83 PIK3CD (0.34) IDO1KMT2ACD74MIFNOS3
SCHEMBL30538030 0.82 ALDH1A1 (0.42) KMT2AMEN1POLB
SCHEMBL30538042 0.82 KMO (0.35) IDO1KMT2ACD74MIFNOS3
SCHEMBL29038831 0.82 KMO (0.35) IDO1KMT2ACD74MIFNOS3
SCHEMBL29038853 0.81
SCHEMBL30537996 0.80 DDB1 (0.41) KMT2ANOS3NOS1NOS2MEN1

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
CN-110483492-B Dipeptidyl peptidase I inhibitors 阿斯利康(瑞典)有限公司 2023-07-21 CN disclosed