SCHEMBL28079753

SCHEMBL28079753

C=C(Cc1ccccc1)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
AKR1B1 P15121 1/20 0.41
PAM P19021 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 2/20 0.41
PPID Q08752 1/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MMP8 P22894 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40

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
SCHEMBL8970426 0.81 TSHR (0.50) ALDH1A1L3MBTL1MAPK1SMN1; SMN2KMT2A
SCHEMBL7403189 0.81 ALDH1A1 (0.59) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL10659302 0.80 PAM (0.43) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL12021626 0.79 ALDH1A1 (0.42) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL13176469 0.78 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1MAPK1CES2
SCHEMBL6631326 0.78 KMT2A (0.46) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL217133 0.78 CES1 (0.48) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL394740 0.77 ALDH1A1 (0.56) ALDH1A1MAPTL3MBTL1MAPK1CES2
SCHEMBL2700584 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1CES2CES1
SCHEMBL23715369 0.76 SMN1; SMN2 (0.54) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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-104351172-B The agrochemical composition of stabilisation 先正达参股股份有限公司 2016-08-24 CN disclosed