SCHEMBL6704359

SCHEMBL6704359

CCCC(O)C(C)COC(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
CYP3A4 P08684 3/20 0.31
TSHR P16473 3/20 0.31
NFKB1 P19838 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ABCB1 P08183 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL6703366 0.81 MAPT (0.47) MAPTLMNATDP1CYP3A4TSHR
SCHEMBL6701143 0.81 LMNA (0.48) MAPTLMNATDP1CHRM1AKR1A1
SCHEMBL16248462 0.79 KDM4E (0.38) MAPTLMNATDP1CHRM1AKR1A1
SCHEMBL16144075 0.77 CA2 (0.42) MAPTLMNATDP1CHRM1AKR1A1
SCHEMBL28515824 0.77 TSHR (0.42) MAPTTDP1CHRM1AKR1A1CHRM3
SCHEMBL9154017 0.76 TSHR (0.32) MAPTTSHR
SCHEMBL23599234 0.74 SMN1; SMN2 (0.38) MAPTLMNATDP1CHRM1AKR1A1
SCHEMBL16254948 0.74 MAPT (0.32) MAPTTSHR
SCHEMBL16480677 0.73 ALOX15 (0.36) TSHR
SCHEMBL16248452 0.72 KDM4E (0.43) MAPTLMNATDP1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894406-A 2-ALKYL-1,3-HEXANEDIOL ALKYL ESTERS EASTMAN KODAK COMPANY (US) 1990-01-16 US claimed
US-11292935-B2 Composition for encapsulation and containment of substances Tru BLOC LLC (US) 2022-04-05 US disclosed
US-20200385603-A1 Composition for Encapsulation and Containment of Substances Tru BLOC LLC (US) 2020-12-10 US disclosed
US-10752800-B2 Composition for encapsulation and containment of substances Tru BLOC LLC (US) 2020-08-25 US disclosed
US-20190055424-A1 Composition for Encapsulation and Containment of Substances Tru BLOC LLC (US) 2019-02-21 US disclosed
WO-2019036248-A1 COMPOSITION FOR ENCAPSULATION AND CONTAINMENT OF SUBSTANCES Tru BLOC LLC (US) 2019-02-21 WO disclosed
US-20040202955-A1 an offset lithographic printing master by imagewise application of droplets of a coalescing agent on an imageable layer comprising hydrophobic polymer particles precoated on a hydrophilic lithographic base; a developer removes the noncoalesced areas KODAK GRAPHIC COMMUNICATIONS CANADA COMPANY (CA) 2004-10-14 US disclosed
US-4894406-A 2-ALKYL-1,3-HEXANEDIOL ALKYL ESTERS EASTMAN KODAK COMPANY (US) 1990-01-16 US disclosed