SCHEMBL17548965

SCHEMBL17548965

CCC(C)(C)C(=O)Oc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.50
CA1 P00915 2/20 0.50
LMNA P02545 1/20 0.45
RECQL P46063 1/20 0.45
VCAM1 P19320 10/20 0.44
HPN P05981 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TYR P14679 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLRA3 O75311 1/20 0.41
GLRB P48167 1/20 0.41
GABBR2 O75899 1/20 0.41
GABBR1 Q9UBS5 1/20 0.41
ELANE P08246 1/20 0.40

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
SCHEMBL20100786 0.83 ELANE (0.41) LMNAPOLBGAATDP1ELANE
SCHEMBL16544029 0.83 ATM (0.56) LMNAMAPTALOX15ALDH1A1POLB
SCHEMBL15043140 0.82 ELANE (0.44) CA2CA1MAPTELANE
SCHEMBL8738351 0.81 ESR1 (0.44) CA2CA1ALOX15ALDH1A1POLB
SCHEMBL13400676 0.81 F2R (0.35) CA2CA1VCAM1MAPTPOLB
SCHEMBL100583 0.79 CA2 (0.53) CA2CA1LMNARECQLVCAM1
SCHEMBL15908062 0.79 ELANE (0.41) LMNARECQLMAPTALOX15ALDH1A1
SCHEMBL17409255 0.79 NPC1 (0.38) CA2CA1LMNAVCAM1MAPT
SCHEMBL28145989 0.78 CA2 (0.61) CA2CA1LMNARECQLVCAM1
Methane SCHEMBL4563808 0.78 CA2 (0.52) CA2CA1LMNARECQLVCAM1

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-9929348-B2 Organic semiconductor composition comprising organic semiconductor material and polymer compound FUJIFILM CORPORATION (JP) 2018-03-27 US disclosed
CN-104582832-B Particulate water-absorbing agent and method for producing same 株式会社日本触媒 2017-10-24 CN disclosed
US-20160064674-A1 ORGANIC SEMICONDUCTOR COMOSITION, ORGANIC THIN-FILM TRANSISTOR, ELECTRONIC PAPER, AND DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2016-03-03 US disclosed