SCHEMBL6393296

SCHEMBL6393296

C=Cc1ccc(CSCCOCCSCc2ccc(C=C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
CHRNA7 P36544 1/20 0.37
CHRNA4 P43681 1/20 0.37
HDAC8 Q9BY41 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 2/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL8752786 0.93 ALDH1A1 (0.35) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17861693 0.93 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8752789 0.92 CHRNB2 (0.36) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8417981 0.91 ALDH1A1 (0.37) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8745127 0.91 ALDH1A1 (0.33) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8745157 0.89 ALDH1A1 (0.32) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL6389194 0.86 ALDH1A1 (0.50) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL12039929 0.86 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL17861687 0.83 ALDH1A1 (0.31) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL8745180 0.83 POLB (0.33) ALDH1A1CYP2C19TP53MAPTPOLB

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
JP-3296507-A None JP disclosed
US-6866981-B2 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2005-03-15 US disclosed
US-20030190548-A1 Mixture of cationic polymer containing unsaturated aromatic compound and sulfonated aromatic compound, photoinitiator and acid generator MITSUBISHI PAPER MILLS LIMITED (JP) 2003-10-09 US disclosed
JP-H03296507-A OPTICAL RESIN WITH HIGH REFRACTIVE INDEX NIPPON OIL & FATS CO LTD 1991-12-27 JP disclosed