SCHEMBL4454018

SCHEMBL4454018

C=Cc1ccc(CSC(C)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 1/20 0.38
EPHX1 P07099 4/20 0.38
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
MAPT P10636 3/20 0.33
TP53 P04637 3/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
GAA P10253 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 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
SCHEMBL5015422 0.85 EPHX1 (0.46) ALDH1A1EPHX1GAASMN1; SMN2NPSR1
SCHEMBL7089051 0.81 ALDH1A1 (0.39) ALDH1A1TSHREPHX1TAS1R3TAS1R1
SCHEMBL8895030 0.81 EPHX1 (0.46) ALDH1A1EPHX1TAS1R3TAS1R1LMNA
SCHEMBL3138628 0.79 EPHX1 (0.42) ALDH1A1EPHX1GAALMNAHTT
SCHEMBL27745037 0.78 CYP2D6 (0.40) ALDH1A1TAS1R3TAS1R1TDP1CHRNB2
SCHEMBL3841177 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTDP1
SCHEMBL24691363 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTAS1R3TAS1R1TDP1
SCHEMBL10585977 0.75 NPSR1 (0.47) ALDH1A1SMN1; SMN2NPSR1PPARGTRPA1
SCHEMBL8019089 0.75 ALDH1A1 (0.50) ALDH1A1TSHRTAS1R3TAS1R1TDP1
SCHEMBL8431662 0.74 ALDH1A1 (0.55) ALDH1A1TSHRTAS1R3TAS1R1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106118333-A Novel aqueous protection spray film 广州驰彩汽车科技有限公司 2016-11-16 CN claimed
JP-9165422-A None JP disclosed
JP-9165426-A None JP disclosed
JP-9165423-A None JP disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
JP-H09165423-A COMPOSITION FOR PLASTIC LENS MITSUBISHI RAYON CO LTD 1997-06-24 JP disclosed
JP-H09165426-A SULFUR-CONTAINING URETHANE/VINYL COMPOUND MITSUBISHI RAYON CO LTD 1997-06-24 JP disclosed
JP-H09165422-A COMPOSITION FOR PLASTIC LENS MITSUBISHI RAYON CO LTD 1997-06-24 JP disclosed