SCHEMBL9576271

SCHEMBL9576271

CCCCCC(O)COC(=O)C=CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 5/20 0.60
GPR84 Q9NQS5 7/20 0.46
ATM Q13315 1/20 0.46
FFAR1 O14842 2/20 0.45
FFAR4 Q5NUL3 1/20 0.45
TSHR P16473 1/20 0.43
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.41
DUSP3 P51452 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9576195 0.98 HCAR2 (0.61) HCAR2GPR84ATMFFAR1FFAR4
SCHEMBL11236562 0.95 HCAR2 (0.59) HCAR2GPR84ATMFFAR1FFAR4
SCHEMBL8461085 0.95 HCAR2 (0.59) HCAR2GPR84ATMFFAR1FFAR4
SCHEMBL9576268 0.93 ATM (0.52) HCAR2GPR84ATMFFAR1FFAR4
SCHEMBL9576192 0.92 GPR84 (0.50) HCAR2GPR84ATMFFAR1FFAR4
SCHEMBL8459106 0.88 HCAR2 (0.56) HCAR2ATMTSHRACHEBACE1
SCHEMBL8461082 0.88 ATM (0.53) HCAR2GPR84ATMTSHRKDM4E
SCHEMBL9576359 0.88 ATM (0.53) HCAR2GPR84ATMTSHRKDM4E
Hexadecane SCHEMBL28028773 0.86 HCAR2 (0.61) HCAR2ATMKDM4EDUSP3MEN1
SCHEMBL28475408 0.84 HCAR2 (0.60) HCAR2ATMTSHRACHEBACE1

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-0219884-B1 HARD CONTACT LENS MATERIAL Tomei Sangyo Kabushiki Kaisha (JP) 1993-09-29 EP disclosed
US-5142009-A Crosslinked blend of fumaric acid diesters TOMEI SANGYO KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-4868260-A OXYGEN PERMEABILITY TOMEI SANGYO KABUSHIKI KAISHA (JP) 1989-09-19 US disclosed
EP-0219884-A2 Hard contact lens material Tomei Sangyo Kabushiki Kaisha (JP) 1987-04-29 EP disclosed