SCHEMBL28741300

SCHEMBL28741300

CCC(C)(C)C(=O)Nc1ccccc1[Ti]c1ccccc1NC(=O)C(C)(C)CC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
RIPK1 Q13546 4/20 0.47
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CETP P11597 1/20 0.41
PDK1 Q15118 6/20 0.39
PDK2 Q15119 6/20 0.39
PDK3 Q15120 6/20 0.39
PDK4 Q16654 6/20 0.39

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
SCHEMBL28592279 0.88 MEN1 (0.50) LMNAPOLBRIPK1GAAHTT
SCHEMBL10027976 0.80 LMNA (0.59) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL19422611 0.79 POLB (0.57) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL12963094 0.79 LMNA (0.57) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL7207413 0.79 LMNA (0.61) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL14483803 0.78 CA1 (0.59) LMNAPOLB
SCHEMBL5879414 0.78 LMNA (0.65) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL12863534 0.77 POLB (0.56) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL6362837 0.76 LMNA (0.55) LMNAPOLBRIPK1L3MBTL1ALDH1A1
SCHEMBL8717722 0.76 TACR1 (0.57) LMNAPOLBRIPK1L3MBTL1ALDH1A1

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-114402256-A Organic film, method for producing same, composition, laminate, and semiconductor device 富士胶片株式会社 2022-04-26 CN disclosed