SCHEMBL28620307

SCHEMBL28620307

CCC(=O)OOc1ccccc1C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NLRP3 Q96P20 2/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CES2 O00748 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LPAR1 Q92633 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL43475 0.84 ELANE (0.49) KMT2AMEN1LMNAL3MBTL1NLRP3
SCHEMBL27886027 0.81 TSHR (0.43) KMT2AMEN1LMNAL3MBTL1CES2
SCHEMBL18261176 0.81 ALOX15 (0.46) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL28434915 0.80 KMT2A (0.39) KMT2AMEN1LMNAL3MBTL1NLRP3
SCHEMBL27632021 0.77 AOC2 (0.45) KMT2AMEN1LMNAL3MBTL1HTT
SCHEMBL28508896 0.77 SMN1; SMN2 (0.49) KMT2ALMNAL3MBTL1POLBHTT
SCHEMBL10438359 0.77 CA1 (0.45) KMT2ALMNAL3MBTL1HTTALDH1A1
SCHEMBL25437240 0.77 ELANE (0.35) KMT2AMEN1L3MBTL1HTTNPSR1
SCHEMBL28368898 0.76 PPARG (0.38) KMT2AMEN1LMNAL3MBTL1CES2
SCHEMBL8404184 0.76 MEN1 (0.42) KMT2AMEN1L3MBTL1POLBHTT

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-113242793-A Biaxially oriented polypropylene film with improved surface properties 博里利斯股份公司 2021-08-10 CN disclosed