SCHEMBL4975451

SCHEMBL4975451

O=C1CCCC(C(=O)O)C(Cc2ccccc2)O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.42
F2 P00734 2/20 0.40
PRSS1 P07477 2/20 0.40
CTRB1 P17538 1/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
CACNA1G O43497 1/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
TLR9 Q9NR96 1/20 0.36
FASN P49327 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
HSD11B1 P28845 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GRM2 Q14416 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
SCHEMBL7634585 0.75 GRM2 (0.46) F2PRSS1CTRB1TSHRHTT
SCHEMBL7366276 0.72 TAAR1 (0.46) TAAR1F2PRSS1TSHRRAB9A
SCHEMBL5688628 0.71 GRM2 (0.45) F2PRSS1CTRB1TSHRHTT
SCHEMBL7452644 0.70 TAAR1 (0.53) TAAR1RAB9AHSD11B1CYP2C19
SCHEMBL7452648 0.70 TAAR1 (0.53) TAAR1RAB9AHSD11B1CYP2C19
SCHEMBL7230439 0.70 TAAR1 (0.53) TAAR1RAB9AHSD11B1CYP2C19
SCHEMBL14486238 0.68 GRM2 (0.49) F2PRSS1CTRB1TSHRHTT
SCHEMBL6496581 0.68 GRM2 (0.49) F2PRSS1CTRB1TSHRHTT
SCHEMBL382340 0.67 CASP3 (0.39) CTRB1CACNA1GTLR9
SCHEMBL23235646 0.66 GRM2 (0.44) TAAR1TSHRGRM2HSD17B10

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
EP-1774410-B1 CHARGE CONTROL AGENT, TONER, IMAGE FORMING METHOD, AND IMAGE FORMING APPARATUS CANON KK (JP) 2008-11-19 EP disclosed