SCHEMBL7089843

SCHEMBL7089843

C=Cc1cccc(CSCCCO)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 6/20 0.34
HPGD P15428 4/20 0.34
FAAH O00519 1/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 4/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.31
CTSL P07711 1/20 0.31
SLC11A2 P49281 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALOX12 P18054 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL1025611 0.90 TP53 (0.39) TP53TDP1ALDH1A1HPGDFAAH
SCHEMBL7903852 0.84 TDP1 (0.41) TP53TDP1ALDH1A1HPGDFAAH
SCHEMBL8151125 0.83 TP53 (0.47) TP53TDP1ALDH1A1HPGDFAAH
SCHEMBL14732608 0.82 TP53 (0.39) TP53TDP1MAPTLMNACYP2C19
SCHEMBL14732600 0.81 TP53 (0.43) TP53TDP1ALDH1A1HPGDFAAH
SCHEMBL7089052 0.80 ALDH1A1 (0.39) TDP1ALDH1A1HPGDCYP2C19TSHR
SCHEMBL23648072 0.78 CYP4F2 (0.43) TP53TDP1ALDH1A1FAAHTSHR
SCHEMBL1025233 0.78 TP53 (0.39) TP53TDP1ALDH1A1FAAHCYP2C19
SCHEMBL14732604 0.77 TP53 (0.46) TP53TDP1ALDH1A1HPGDFAAH
SCHEMBL27745104 0.75 TP53 (0.41) TP53TDP1ALDH1A1FAAHTSHR

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
CN-101463133-B Manufacturing method and apparatus of optical material SEIKO EPSON CORP 2011-03-02 CN disclosed
CN-101463133-A Manufacturing method and apparatus of optical material SEIKO EPSON CORP (JP) 2009-06-24 CN disclosed
US-20030195270-A1 Enic compounds, sulfur-containing polyenic compound, sulfur-containing polythiol compound, high refractive index photocurable composition and cured product thereof ISHII KENJI (JP) 2003-10-16 US disclosed