SCHEMBL7995836

SCHEMBL7995836

COCOC=C(C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
AKT1 P31749 2/20 0.40
KDM1A O60341 1/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
CES2 O00748 2/20 0.33
CES1 P23141 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
DEGS1 O15121 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL30827272 0.80 KDM1A (0.39) LMNAMAPK1HTTL3MBTL1KDM1A
SCHEMBL29594368 0.79 SMN1; SMN2 (0.40) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL28705241 0.79 SMN1; SMN2 (0.40) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL23075200 0.79 SMN1; SMN2 (0.40) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL28706023 0.79 SMN1; SMN2 (0.40) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL1433790 0.77 TSHR (0.43) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL18411740 0.77 TSHR (0.43) LMNAMAPK1HTTL3MBTL1AKT1
SCHEMBL23244090 0.77 ALDH1A1 (0.46) HTTL3MBTL1TSHRKMT2AHPGD
SCHEMBL23244088 0.77 ALDH1A1 (0.46) HTTL3MBTL1TSHRKMT2AHPGD
SCHEMBL22723011 0.77 SMN1; SMN2 (0.41) LMNAMAPK1HTTL3MBTL1AKT1

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
JP-6032819-A None JP disclosed
US-6281318-B1 REACTING 4-(1-METHYLETHENYL-)PHENYL WITH VINYL ETHER MITSUI CHEMICALS, INC. (JP) 2001-08-28 US disclosed
JP-H0632819-A PRODUCTION OF POLY@(3754/24)P-HYDROXY-ALPHA-METHYLSTYRENE) SHIN ETSU CHEM CO LTD 1994-02-08 JP disclosed