SCHEMBL9709102

SCHEMBL9709102

CCCC(OC(=O)/C=C/C(=O)O)C(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.50
ACHE P22303 1/20 0.34
BACE1 P56817 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
ATM Q13315 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
EGLN3 Q9H6Z9 1/20 0.32

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
SCHEMBL9709112 1.00 HCAR2 (0.50) HCAR2ACHEBACE1TDP1CHRM1
SCHEMBL9709099 0.93 HCAR2 (0.38) HCAR2TDP1CHRM1AKR1A1CHRM3
SCHEMBL9709350 0.85 HCAR2 (0.53) HCAR2TDP1ATMTSHRTP53
SCHEMBL9709339 0.85 HCAR2 (0.53) HCAR2TDP1ATMTSHRTP53
SCHEMBL9576278 0.81 HCAR2 (0.46) HCAR2
SCHEMBL3715866 0.79 HCAR2 (0.42) HCAR2ATMMAPT
SCHEMBL3715862 0.79 HCAR2 (0.42) HCAR2ATMMAPT
SCHEMBL5831234 0.79 HCAR2 (0.55) HCAR2ACHEBACE1TDP1CHRM1
SCHEMBL7781263 0.79 HCAR2 (0.55) HCAR2ADRA1ATSHRTP53EGLN1
SCHEMBL7781257 0.79 HCAR2 (0.55) HCAR2ADRA1ATSHRTP53EGLN1

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
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP claimed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP claimed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US claimed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP claimed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP claimed
EP-0244835-B1 LANGMUIR-BLODGETT ULTRATHIN MEMBRANE OF POLYFUMURATE NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-08-26 EP disclosed
EP-0192997-B1 METHOD FOR MODIFYING POLYFUMARIC ACID DIESTER NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1992-04-29 EP disclosed
US-4907038-A Langmuir Blodgett ultrathin membrane of polyfumarate NIPPON OIL AND FATS CO., LTD. (JP) 1990-03-06 US disclosed
EP-0244835-A2 Langmuir-Blodgett ultrathin membrane of polyfumurate NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1987-11-11 EP disclosed
US-4670520-A HEATING NIPPON OIL & FAT CO., LTD. (JP) 1987-06-02 US disclosed
EP-0192997-A2 Method for modifying polyfumaric acid diester NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1986-09-03 EP disclosed