SCHEMBL28512609

SCHEMBL28512609

Cc1ccc(C)c(C2=C[CH]c3ccccc32)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MAPK1 P28482 1/20 0.36
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 6/20 0.35
MAPT P10636 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HTT P42858 2/20 0.35
F2 P00734 2/20 0.35
XBP1 P17861 1/20 0.35
HPGD P15428 4/20 0.34
MEN1 O00255 4/20 0.34
ALOX15 P16050 2/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
HSD17B10 Q99714 2/20 0.33
CYP1A2 P05177 1/20 0.33
S1PR4 O95977 1/20 0.33
PDK2 Q15119 1/20 0.33
TDP1 Q9NUW8 2/20 0.32

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
SCHEMBL15875045 0.86 ELANE (0.40) ELANEKMT2AALDH1A1MAPTKDM4E
SCHEMBL28506789 0.86 ELANE (0.40) ELANEMAPK1KMT2AALDH1A1MAPT
SCHEMBL28515390 0.83 NPC1 (0.38) ALDH1A1HTTHPGDLMNANPC1
SCHEMBL28025999 0.81 MEN1 (0.33) ELANEKMT2AALDH1A1MAPTKDM4E
SCHEMBL28025439 0.81 PDK2 (0.33) ELANEMAPK1ALDH1A1CYP1A2PDK2
SCHEMBL28515419 0.77 NPC1 (0.39) MAPK1KMT2AALDH1A1MAPTKDM4E
SCHEMBL28025448 0.76 PDK2 (0.37) MAPK1KMT2AALDH1A1MAPTHPGD
SCHEMBL28025426 0.76 POLB (0.33) ELANEMAPK1ALDH1A1NPC1CYP1A2
SCHEMBL28517482 0.75 HTR7 (0.39) MAPK1KMT2AALDH1A1MAPTHTT
SCHEMBL28512208 0.75 RAB9A (0.39) KMT2AALDH1A1MAPTHTTHPGD

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-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed