SCHEMBL8096461

SCHEMBL8096461

CCC(C)OCCC(=O)O.CCC(C)OCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 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
SCHEMBL261411 1.00 FFAR3 (0.40) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2941038 0.92 TDP1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2943255 0.92 TDP1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2952581 0.92 TDP1 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2943949 0.88 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2943229 0.88 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2948136 0.88 FFAR3 (0.34) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL2682110 0.87 AKR1B1 (0.43) AKR1B1ALDH1A1LMNAPPARGPPARD
SCHEMBL8400588 0.85 ALDH1A1 (0.50) AKR1B1ALDH1A1LMNAPPARGPPARD
SCHEMBL8400587 0.84 ALDH1A1 (0.53) AKR1B1ALDH1A1LMNAPPARGPPARD

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
US-6099415-A INK COMPRISES A PREPOLYMER HAVING TWO FUNCTIONAL GROUPS SELECTED FROM ACRYALTED PREPOLYMER, AN UNSATURATED ESTER AND MIXTURE, A MONOMER POLYMERIZABLE WITH PREPOLYMER, A PHOTOINITIATOR AND AN ADHESION PROMOTER ACUSHNET COMPANY (US) 2000-08-08 US disclosed