SCHEMBL8746231

SCHEMBL8746231

C=COC(C)=O.CCCCC(CC)COC(=O)C=CC(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
TDP1 Q9NUW8 2/20 0.48
CYP3A4 P08684 4/20 0.47
ATM Q13315 2/20 0.47
HCAR2 Q8TDS4 5/20 0.47
RECQL P46063 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.38
HSD17B10 Q99714 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ACHE P22303 1/20 0.35
BACE1 P56817 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
Acrylic Acid SCHEMBL516623 0.90 TSHR (0.74) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL560438 0.88 TSHR (0.81) TSHRTDP1CYP3A4ATMRECQL
SCHEMBL242750 0.88 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL972676 0.88 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL242751 0.88 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL790118 0.88 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
Acrylic Acid SCHEMBL11282590 0.88 TSHR (0.71) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL726432 0.87 TSHR (0.56) TSHRTDP1CYP3A4ATMHCAR2
Acrylic Acid Ethyl Ester SCHEMBL11247075 0.86 TSHR (0.69) TSHRTDP1CYP3A4ATMHCAR2
SCHEMBL9456754 0.86 TSHR (0.67) TSHRTDP1CYP3A4ATMHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0369379-B1 Image forming method KONISHIROKU PHOTO IND (JP) 1997-02-12 EP claimed
EP-0369379-B1 Image forming method KONISHIROKU PHOTO IND (JP) 1997-02-12 EP disclosed
US-4985337-A ACID GENERATING AGENT AND COMPOUND DECOMPOSABLE WITH ACID KONICA CORPORATION (JP) 1991-01-15 US disclosed
EP-0369379-A2 Image forming method KONICA CORPORATION (JP) 1990-05-23 EP disclosed