SCHEMBL5403591

SCHEMBL5403591

CCCc1ccc([I+](OS(=O)(=O)c2ccc(F)cc2F)c2ccc(CCC)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
CA2 P00918 1/20 0.35
HTR6 P50406 1/20 0.34
PER2 O15055 1/20 0.34
CRY1 Q16526 1/20 0.34
CRY2 Q49AN0 1/20 0.34
CXCR4 P61073 1/20 0.33
ALDH1A1 P00352 4/20 0.33
PTGES2 Q9H7Z7 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
KAT6A Q92794 1/20 0.32
KDM2B Q8NHM5 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32

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
SCHEMBL5406922 0.90 GAA (0.38) HTR6CXCR4ALDH1A1LMNAGAA
SCHEMBL5411397 0.84 KAT6A (0.40) CA2GAATDP1KAT6ARAB9A
SCHEMBL5403488 0.82 HTT (0.38) ALDH1A1KAT6APIK3C3MAPT
SCHEMBL5416274 0.81 CA2 (0.45) HTR2AHTR2CCA2ALDH1A1LMNA
SCHEMBL5398691 0.81 NPC1 (0.35) ALDH1A1LMNAKAT6AKDM2BPIK3C3
SCHEMBL503804 0.80 GAA (0.39) CA2ALDH1A1PTGES2GAAMAPT
SCHEMBL5413752 0.80 CA2 (0.38) HTR2AHTR2CCA2HTR6ALDH1A1
SCHEMBL548575 0.79 KMT2A (0.38) HTR2AHTR2CALDH1A1GAARAB9A
SCHEMBL5403656 0.79 MAPT (0.37) PER2CRY1CRY2ALDH1A1LMNA
SCHEMBL5408470 0.77 GAA (0.40) CA2ALDH1A1GAAMAPTRAB9A

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