SCHEMBL28569677

SCHEMBL28569677

COC(=O)C(C)(C(C)c1ccccc1)N(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.43
KMT2A Q03164 1/20 0.43
SRC P12931 1/20 0.40
MTOR P42345 1/20 0.40
CYP26A1 O43174 2/20 0.38
CTRB1 P17538 1/20 0.38
NPY5R Q15761 1/20 0.37
ATM Q13315 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ELANE P08246 1/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA4 P43681 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL6673967 0.83 KDM4E (0.41) SRCMTORATML3MBTL1CHRNB2
SCHEMBL28676616 0.74 KMT2A (0.43) KCNN4KMT2ASRCCTRB1TSHR
SCHEMBL18095170 0.73 SRC (0.46) KCNN4KMT2ASRCTSHRHTT
Ammonia Solution, Strong SCHEMBL28199228 0.72 MAPT (0.43) KCNN4KMT2ASRCATML3MBTL1
SCHEMBL7807968 0.71 POLB (0.45) KCNN4KMT2ASRCCTRB1TSHR
SCHEMBL14826292 0.70 KCNN4 (0.50) KCNN4KMT2ASRCCYP26A1ATM
SCHEMBL10905859 0.70 KCNN4 (0.50) KCNN4KMT2ASRCCYP26A1CTRB1
SCHEMBL6672417 0.70 ESR1 (0.41) KMT2ASRCNPY5RPTGS1
SCHEMBL28965845 0.69 KMT2A (0.44) KMT2ASRCATML3MBTL1HCAR2
SCHEMBL11159095 0.69 AOC3 (0.44) KMT2AMTORATML3MBTL1HTT

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-112842969-A Inflammation repairing and antioxidation composition and application 上海瑞帝安生物科技有限公司 2021-05-28 CN disclosed