SCHEMBL28655825

SCHEMBL28655825

CC(C)c1cccc(CC(C)(C)C)c1Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.40
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39
RIPK1 Q13546 1/20 0.37
MEN1 O00255 4/20 0.37
KDM1A O60341 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SOAT2 O75908 1/20 0.35
SOAT1 P35610 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP3A4 P08684 3/20 0.35
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
HSD17B10 Q99714 3/20 0.35
TSHR P16473 2/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 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
SCHEMBL5025966 0.80 LMNA (0.50) PLK1KMT2ALMNAMEN1KDM1A
SCHEMBL28659305 0.78 RIPK1 (0.39) PLK1KMT2ALMNARIPK1MEN1
SCHEMBL6682046 0.76 RIPK1 (0.44) KMT2ALMNARIPK1MEN1ALDH1A1
SCHEMBL2378671 0.72 HDAC6 (0.47) KMT2ALMNAMEN1KDM1ASMN1; SMN2
SCHEMBL24609367 0.72 MAPT (0.45) KMT2ALMNARIPK1MEN1KDM4E
SCHEMBL21763864 0.71 NLRP3 (0.42) KMT2AMEN1KDM1ASMN1; SMN2TDP1
SCHEMBL1274738 0.70 GABRA1 (0.57) KMT2ALMNARIPK1MEN1SMN1; SMN2
SCHEMBL1274737 0.70 GABRA1 (0.38) KMT2ALMNARIPK1MEN1SMN1; SMN2
SCHEMBL1275866 0.70 GABRA1 (0.38) KMT2ALMNARIPK1MEN1SMN1; SMN2
SCHEMBL28438349 0.70 GABRA1 (0.38) KMT2ALMNARIPK1MEN1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840741-A Multipolymer, rubber composition, resin composition, tire and resin product 株式会社普利司通 2021-12-24 CN disclosed
CN-113677543-A Polyisoprene, rubber composition, and tire 株式会社普利司通 2021-11-19 CN disclosed
CN-113677714-A Method for producing polyisoprene 株式会社普利司通 2021-11-19 CN disclosed