SCHEMBL5565745

SCHEMBL5565745

Cc1cc(C)c(-[n+]2ccc(-c3cc[n+](C(C)P(=O)(O)O)cc3)cc2)c(C)c1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PGK1 P00558 1/20 0.30
▸ PGK2 P07205 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP3 P08254 1/20 0.30
▸ MMP7 P09237 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 1/20 0.30
▸ MMP13 P45452 1/20 0.30
▸ MMP14 P50281 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
Hydrochloric Acid SCHEMBL2258996 0.99 FDPS (0.32) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Trifluoromethanesulfonamide SCHEMBL3994263 0.88 — —
Hydrochloric Acid SCHEMBL2266110 0.86 ACP3 (0.35) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL3930213 0.83 FDPS (0.32) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL1226946 0.81 ACP3 (0.35) KDM4EALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL4330742 0.79 MMP8 (0.37) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Bromide SCHEMBL1227449 0.79 LMNA (0.36) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1227055 0.79 ACP3 (0.34) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2259031 0.79 ACP3 (0.39) KDM4EALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2263262 0.78 MMP8 (0.36) KDM4EALDH1A1LMNAHTTSMN1; 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7270880-B2 Electrochromic particles NTERA LIMITED (IE) 2007-09-18 — — US claimed
US-20060097233-A1 Electrochromic particles NTERA LIMITED (IE) 2006-05-11 — — US claimed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 — — EP claimed
US-7270880-B2 Electrochromic particles NTERA LIMITED (IE) 2007-09-18 — — US disclosed
US-20060097233-A1 Electrochromic particles NTERA LIMITED (IE) 2006-05-11 — — US disclosed
EP-1594938-A1 ELECTROCHROMIC COMPOUNDS Ntera Limited (IE) 2005-11-16 — — EP disclosed
WO-2004067673-A1 ELECTROCHROMIC COMPOUNDS NTERA LIMITED (IE) 2004-08-12 — — WO disclosed
EP-1443091-A1 Electrochromic compounds Ntera Limited (IE) 2004-08-04 — — EP disclosed
EP-1443090-A1 Electrochromic particles Ntera Limited (IE) 2004-08-04 — — EP disclosed
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