SCHEMBL9888795

SCHEMBL9888795

C=Cc1ccc(Sc2ccc([S+](c3ccc(C=C)cc3)c3ccc(C=C)cc3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 1/20 0.33
HDAC8 Q9BY41 1/20 0.32
NR1H2 P55055 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL1024003 0.86 ALDH1A1 (0.65) ALDH1A1TSHRTDP1HDAC8NR1H2
Lithium SCHEMBL30427541 0.84 ALDH1A1 (0.61) ALDH1A1TSHRTDP1HDAC8NR1H2
SCHEMBL942072 0.77 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HDAC8NR1H2
SCHEMBL16709768 0.77 ALDH1A1 (0.59) ALDH1A1TSHRTDP1HDAC8NR1H2
SCHEMBL14289218 0.76 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HDAC8CYP3A4
SCHEMBL16709773 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHDAC8LMNA
Bromide SCHEMBL29624172 0.76 ALDH1A1 (0.56) ALDH1A1TSHRTDP1HDAC8
SCHEMBL29715760 0.72 HPGD (0.50) ALDH1A1TSHRNR1H2CYP3A4MAPK1
SCHEMBL92199 0.72 HPGD (0.45) ALDH1A1TSHRNR1H2CYP3A4MAPK1
SCHEMBL16709769 0.71 ALDH1A1 (0.50) ALDH1A1TSHRTDP1HDAC8HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120141940-A1 CHEMICALLY AMPLIFIED POSITIVE-TYPE PHOTORESIST COMPOSITION FOR THICK FILM, AND METHOD FOR PRODUCING THICK FILM RESIST PATTERN TOKYO OHKA KOGYO CO., LTD. (JP) 2012-06-07 US disclosed