SCHEMBL10548769

SCHEMBL10548769

C#CC(O)c1cccc(Oc2ccccc2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.41
F10 P00742 4/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
MAP4K4 O95819 1/20 0.36
HSD17B14 Q9BPX1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
MAPK1 P28482 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 2/20 0.33
LTA4H P09960 1/20 0.33

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
SCHEMBL10457415 0.84 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL9577109 0.84 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL10456633 0.84 F2 (0.42) F2F10PRSS1PRSS2PRSS3
SCHEMBL11360231 0.82 F2 (0.46) F2F10PRSS1PRSS2PRSS3
SCHEMBL10548446 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9270503 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL9818071 0.79 F2 (0.44) F2F10PRSS1PRSS2PRSS3
SCHEMBL8972394 0.76 F2 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL2521152 0.75 LTA4H (0.58) F2F10PRSS1PRSS2PRSS3
SCHEMBL10720414 0.75 F2 (0.41) F2F10PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4256893-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-03-17 US claimed
JP-56092249-A None JP disclosed
US-4833163-A INSECTICIDES, NEMATOCIDES, MITICIDES ROUSSEL UCLAF (FR) 1989-05-23 US disclosed
US-4584304-A INSECTICIDE, PESTICIDE SHELL OIL COMPANY (US) 1986-04-22 US disclosed
US-4281133-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-07-28 US disclosed
JP-S5692249-A NOVEL CARBOXYLIC ESTER, ITS PREPARATION AND INSECTICIDE, ACARICIDE NISSAN CHEM IND LTD 1981-07-25 JP disclosed
US-4256893-A INSECTICIDES THE DOW CHEMICAL COMPANY (US) 1981-03-17 US disclosed
US-4248875-A INSECTICIDES, MITICIDES ZOECON CORPORATION (US) 1981-02-03 US disclosed
US-4226872-A Pyridyl esters of α-substituted amino acids ZOECON CORPORATION (US) 1980-10-07 US disclosed
US-4223033-A Substituted pyridine methyl esters of naphthyl acids ZOECON CORPORATION (US) 1980-09-16 US disclosed
US-4163787-A Substituted pyridine methyl esters of cyclopropane carboxylic acids and their use as insecticides THE DOW CHEMICAL COMPANY (US) 1979-08-07 US disclosed