SCHEMBL4928301

SCHEMBL4928301

C=CC(=O)C(=O)COP(=O)(O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
SRC P12931 2/20 0.43
THRB P10828 1/20 0.38
BTN3A1 O00481 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ANPEP P15144 2/20 0.36
LAP3 P28838 2/20 0.36
POLB P06746 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALOX15 P16050 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
SCHEMBL473255 0.87 SRC (0.41) ALDH1A1SRCTHRBBTN3A1CYP2C9
SCHEMBL175487 0.76 SRC (0.50) ALDH1A1SRCTSHRCYP2C9CYP2C19
SCHEMBL968317 0.75 THRB (0.61) ALDH1A1SRCTHRBTSHR
SCHEMBL6219528 0.75 ALDH1A1 (0.52) ALDH1A1SRCBTN3A1TSHRCYP2C9
Acrylamide SCHEMBL28950466 0.74 SRC (0.52) ALDH1A1SRCTHRBTSHRANPEP
SCHEMBL1790314 0.73 SRC (0.50) ALDH1A1SRCTHRBTSHRCYP2C9
SCHEMBL11884152 0.72 GAA (0.46) ALDH1A1SRCTSHRCYP2C9CYP2C19
SCHEMBL3143406 0.71 TPI1 (0.43)
Ethylene SCHEMBL28651302 0.71 SRC (0.67) ALDH1A1SRCTSHRCYP2C9CYP2C19
SCHEMBL37038 0.71 SRC (0.73) ALDH1A1SRCTSHRCYP2C9CYP2C19

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-20080076054-A1 Toner, production method thereof, toner container, developer, image forming apparatus and process cartridge using the same RICOH COMPANY, LTD. (JP) 2008-03-27 US disclosed