SCHEMBL5409969

SCHEMBL5409969

CC(C)c1ccc([I+](OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c2ccc(C(C)C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.36
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
PGR P06401 3/20 0.31
TSHR P16473 1/20 0.31
CTPS1 P17812 1/20 0.30
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5401430 0.86 RAB9A (0.38) ALPLALPIL3MBTL1ALDH1A1PGR
SCHEMBL5400599 0.85 ALPL (0.38) ALPLALPIL3MBTL1ALDH1A1PGR
SCHEMBL5401558 0.82 HSD17B2 (0.41) ALPLALPIL3MBTL1ALDH1A1
SCHEMBL5400412 0.81 PGR (0.42) ALPLALPIL3MBTL1ALDH1A1PGR
SCHEMBL5414726 0.81 TP53 (0.35) ALPLALPIL3MBTL1ALDH1A1PGR
SCHEMBL5412226 0.79 CA2 (0.36) ALPLALPIL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL5404679 0.78 NPC1 (0.36) ALPLALPIL3MBTL1LMNASMN1; SMN2
SCHEMBL5403656 0.76 MAPT (0.37) TRPV4ALDH1A1LMNASMN1; SMN2
SCHEMBL5404365 0.75 CNR2 (0.39) L3MBTL1ALDH1A1LMNASMN1; SMN2
SCHEMBL7896688 0.74 TYR (0.36) ALDH1A1PGRMCOLN3LMNASMN1; SMN2

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