SCHEMBL8878752

SCHEMBL8878752

CCC(CC(=O)O)CC(=O)OC(=O)CC(CC)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.39
CACNA2D1 P54289 2/20 0.38
CACNB3 P54284 1/20 0.38
CACNA1C Q13936 1/20 0.38
PGR P06401 1/20 0.38
ADRA1A P35348 1/20 0.38
HTR2B P41595 1/20 0.38
CACNA2D2 Q9NY47 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
GPR84 Q9NQS5 4/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ATM Q13315 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 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
SCHEMBL11735684 0.87 FFAR3 (0.36) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL9060857 0.85 SLC22A6 (0.41) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL804682 0.85 CACNA2D1 (0.46) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL11735671 0.84 MGAM (0.39) ALDH1A1TDP1CYP3A4TSHRATM
SCHEMBL9843849 0.83 ALDH1A1 (0.39) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL276400 0.83
SCHEMBL17256457 0.80 FFAR3 (0.32) FFAR3ALDH1A1TDP1CYP3A4TSHR
SCHEMBL27936230 0.80 CACNA2D1 (0.46) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL27936231 0.80 CACNA2D1 (0.46) FFAR3CACNA2D1CACNB3CACNA1CPGR
SCHEMBL11761433 0.80 CACNA2D1 (0.46) FFAR3CACNA2D1CACNB3CACNA1CPGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5631209-A ALGICIDES ROHM AND HAAS COMPANY (US) 1997-05-20 US disclosed
US-5502027-A ALGICIDES ROHM AND HAAS COMPANY (US) 1996-03-26 US disclosed
EP-0415642-B1 Glutarimides ROHM & HAAS (US) 1995-12-06 EP disclosed
US-5393735-A N-(halo-oxy-)phenyl substituted cyclic imides ROHM AND HAAS COMPANY (US) 1995-02-28 US disclosed
EP-0415641-B1 Substituted glutaramic acids and derivatives ROHM & HAAS (US) 1994-01-19 EP disclosed
US-5238908-A HERBICIDAL GLUTARAMIC ACIDS AND DERIVATIVES ROHM AND HAAS COMPANY (US) 1993-08-24 US disclosed
EP-0415641-A1 Substituted glutaramic acids and derivatives ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed
EP-0415642-A1 Glutarimides ROHM AND HAAS COMPANY (US) 1991-03-06 EP disclosed