SCHEMBL4660370

SCHEMBL4660370

CC(C)CCCOc1cc(OO)c(C(=O)c2ccccc2)cc1S(=O)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
MAPT P10636 2/20 0.50
ALDH1A1 P00352 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.41
PPARG P37231 3/20 0.39
PPARD Q03181 3/20 0.39
PPARA Q07869 3/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
PPIA P62937 1/20 0.38
C5 P01031 2/20 0.38
SLC6A9 P48067 1/20 0.38

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
SCHEMBL4660367 0.88 LMNA (0.67) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4660216 0.84 LMNA (0.65) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4660277 0.79 LMNA (0.64) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL10970830 0.78 LMNA (0.59) LMNAMAPTALDH1A1KMT2AC5
SCHEMBL4661694 0.77 LMNA (0.64) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4660272 0.76 LMNA (0.70) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4660398 0.75 LMNA (0.68) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4662710 0.74 LMNA (0.60) LMNAMAPTALDH1A1KMT2APPARG
SCHEMBL4662887 0.74 LMNA (0.71) LMNAMAPTALDH1A1KMT2AHTT
SCHEMBL4661580 0.74 LMNA (0.71) LMNAMAPTALDH1A1KMT2AHTT

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
EP-1427697-B1 SULPHONATION OF PHENOLS GREAT LAKES CHEMICAL EUROP (CH) 2008-12-24 EP disclosed