SCHEMBL14848614

SCHEMBL14848614

CCC(C)(C)CC(=O)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RECQL P46063 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
GSR P00390 2/20 0.37
TSHR P16473 2/20 0.37
NT5E P21589 1/20 0.37
HSD17B3 P37058 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
STS P08842 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL14840858 0.82 THRA (0.43) HSD17B3STSHDAC3HDAC1HDAC2
SCHEMBL20181746 0.79 NPC1 (0.53) LMNAALDH1A1RAB9ANPC1L3MBTL1
SCHEMBL13749369 0.72 LMNA (0.37) LMNAALDH1A1TSHRNT5ESMN1; SMN2
SCHEMBL3496147 0.71 LMNA (0.46) LMNAALDH1A1RECQLRAB9ANPC1
SCHEMBL13543242 0.71 LMNA (0.46) LMNAALDH1A1RAB9ANPC1TSHR
SCHEMBL7043098 0.71 SMN1; SMN2 (0.53) LMNAALDH1A1GSRTSHRNT5E
SCHEMBL9969418 0.70 GSR (0.56) LMNAGSR
SCHEMBL28422360 0.70 HSD17B3 (0.65) HSD17B3STSCA2
SCHEMBL10497062 0.70 HSD17B3 (0.65) HSD17B3STSCA2
SCHEMBL10497327 0.70 MMP1 (0.40) LMNAHTTALDH1A1RECQLRAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170225452-A1 TUNABLE SURFACTANTS IN DAMPENING FLUIDS FOR DIGITAL OFFSET INK PRINTING APPLICATIONS Genesee Valley Innovations, LLC 2017-08-10 US disclosed
US-9713828-B2 Tunable surfactants in dampening fluids for digital offset ink printing applications XEROX CORPORATION (US) 2017-07-25 US disclosed
US-20150040939-A1 TUNABLE SURFACTANTS IN DAMPENING FLUIDS FOR DIGITAL OFFSET INK PRINTING APPLICATIONS Genesee Valley Innovations, LLC 2015-02-12 US disclosed
US-20130087167-A1 TUNABLE SURFACTANTS IN DAMPENING FLUIDS FOR DIGITAL OFFSET INK PRINTING APPLICATIONS XEROX CORPORATION (US) 2013-04-11 US disclosed