SCHEMBL5403588

SCHEMBL5403588

CCCc1ccc([I+]c2ccc(CCC)cc2)cc1.O=S(=O)([O-])c1ccc(F)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 1/20 0.39
FFAR4 Q5NUL3 2/20 0.36
FFAR1 O14842 1/20 0.36
FDFT1 P37268 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTR6 P50406 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
LMNA P02545 2/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
F2 P00734 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR183 P32249 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KCNH2 Q12809 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
SCHEMBL5406919 0.89 GAA (0.39) CA2HTR2AHTR2CALDH1A1MAPT
SCHEMBL5411395 0.84 KAT6A (0.41) CA2FFAR4ALDH1A1GAATDP1
Toliodium SCHEMBL5403487 0.82 MAPT (0.38) ALDH1A1MAPTCCR2
SCHEMBL5416270 0.82 CA2 (0.47) CA2HTR2AHTR2CFFAR4FFAR1
SCHEMBL5398687 0.81 NPC1 (0.34) ALDH1A1MAPTLMNAPTGES2KDM2B
SCHEMBL30827110 0.80 GAA (0.40) FFAR4FFAR1ALDH1A1MAPTPTGES2
SCHEMBL503803 0.80 GAA (0.40) FFAR4FFAR1ALDH1A1MAPTPTGES2
SCHEMBL5413749 0.79 CA2 (0.42) CA2HTR2AHTR2CFFAR4FFAR1
SCHEMBL548574 0.79 HTR2A (0.38) HTR2AHTR2CALDH1A1MAPTKCNH2
SCHEMBL30113133 0.79 HTR2A (0.38) HTR2AHTR2CALDH1A1MAPTKCNH2

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
US-7312014-B2 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2007-12-25 US disclosed
US-20040170918-A1 Poly(p-hydroxystyrene/styrene/alkyl acrylate) terpolymer derivative and acid generator comprising triphenylsulfonium benzenesulfonate derivative; forming positive pattern using transcription technology in high vacuum with irradiated energy such as electron beam, extreme ultraviolet ray and X-ray WAKO PURE CHEMICAL INDUSTRIES LTD. (JP) 2004-09-02 US disclosed
EP-1406123-A1 RESIST COMPOSITIONS Wako Pure Chemical Industries, Ltd. (JP) 2004-04-07 EP disclosed