SCHEMBL28048587

SCHEMBL28048587

CC=C(C)C(=O)ON(CCCC)CCCC

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA9 Q16790 2/20 0.35
CES1 P23141 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
TSHR P16473 2/20 0.32
ATM Q13315 1/20 0.31
FAAH O00519 1/20 0.30

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
SCHEMBL1085830 0.85 CA12 (0.33) CA12CA1CA9CES1ALDH1A1
SCHEMBL23879202 0.85 CA12 (0.33) CA12CA1CA9CES1ALDH1A1
SCHEMBL28061988 0.84 CA12 (0.32) CA12CA1CA9CES1ALDH1A1
SCHEMBL1853325 0.80 ZDHHC20 (0.33) CES1ALDH1A1TSHR
SCHEMBL28104014 0.80
SCHEMBL1439035 0.79 GLO1 (0.30)
SCHEMBL3801335 0.79 ZDHHC20 (0.36) CES1TSHR
SCHEMBL3688741 0.79 ZDHHC20 (0.36) CES1TSHR
SCHEMBL11519636 0.78 TSHR (0.48) CA12CA1CA9CES1ALDH1A1
SCHEMBL886851 0.77 ALDH1A1 (0.44) CA12CA1CA9CES1ALDH1A1

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
CN-105372959-A ELECTROSTATIC CHARGE IMAGE DEVELOPING CARRIER, ELECTROSTATIC CHARGE IMAGE DEVELOPER, DEVELOPER CARTRIDGE, PROCESS CARTRIDGE, AND IMAGE FORMING APPARATUS FUJI XEROX CO LTD 2016-03-02 CN disclosed