SCHEMBL28047804

SCHEMBL28047804

C=C(C)OOc1ccccc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
HTR7 P34969 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
ADRB2 P07550 5/20 0.39
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH1 P35367 1/20 0.38
ADRB1 P08588 1/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 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
SCHEMBL3729774 0.81 L3MBTL1 (0.47) MAPK1TP53RAB9ATDP1L3MBTL1
SCHEMBL534828 0.77 L3MBTL1 (0.44) MAPK1TP53RAB9ATDP1L3MBTL1
SCHEMBL23358801 0.74 HTT (0.45) MAPK1TP53RAB9ATDP1L3MBTL1
Alcohol SCHEMBL3011429 0.74 HTT (0.45) MAPK1TP53RAB9ATDP1L3MBTL1
SCHEMBL29213059 0.73 ELANE (0.50) MAPK1TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL9180717 0.73 LMNA (0.55) MAPK1TP53RAB9ATDP1L3MBTL1
SCHEMBL242193 0.73 ELANE (0.50) MAPK1TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL8062542 0.73 L3MBTL1 (0.58) MAPK1TP53RAB9AHTR7TDP1
SCHEMBL29733162 0.73 ELANE (0.50) MAPK1TDP1L3MBTL1KDM4EALDH1A1
SCHEMBL8537999 0.72 FABP3 (0.47) MAPK1TP53RAB9AHTR7TDP1

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-105246940-A Curable composition for sealing optical semiconductor DAICEL CORP 2016-01-13 CN disclosed