SCHEMBL329206

SCHEMBL329206

CCCCC(CC)C[CH]c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 2/20 0.43
CA2 P00918 1/20 0.43
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 5/20 0.39
TSHR P16473 3/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC3 O15379 3/20 0.36
HDAC1 Q13547 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36

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
SCHEMBL5000035 0.83 HTR2A (0.50) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL10901228 0.80 TDP1 (0.55) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL28420093 0.77 HTR2A (0.47) ALDH1A1KDM4ETDP1LMNATSHR
Styrene SCHEMBL27256200 0.77 ALDH1A1 (0.42) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL27528304 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ECYP3A4TDP1LMNA
SCHEMBL28143141 0.75 ALDH1A1 (0.42) ALDH1A1KDM4ECYP3A4CA2TDP1
Styrene SCHEMBL27694253 0.72 ALDH1A1 (0.43) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL29596704 0.72 ALDH1A1 (0.50) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL3466390 0.72 ALDH1A1 (0.49) ALDH1A1KDM4ECYP3A4CA2TDP1
SCHEMBL8166743 0.71 HTR2A (0.42) ALDH1A1KDM4ECYP3A4LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405543-A2 Photosensitive leuco dye containing electrostatic master with printout image E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-02 EP claimed
EP-2407514-B1 REINFORCED POLYESTER RESIN COMPOSITION ADEKA CORP (JP) 2017-03-01 EP disclosed
EP-2407514-A1 REINFORCED POLYESTER RESIN COMPOSITION Adeka Corporation (JP) 2012-01-18 EP disclosed
EP-0041834-A1 Self-polishing sealing composition S.C. JOHNSON & SON, INC. (US) 1981-12-16 EP disclosed