SCHEMBL8388458

SCHEMBL8388458

CC(C)C/C(=C/C(=O)O)C(=O)O.CC(C)C/C(=C/C(=O)O)C(=O)O.[Zn]

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
TSHR P16473 1/20 0.48
GRIK1 P39086 8/20 0.40
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GRIK2 Q13002 5/20 0.38
GRIA2 P42262 2/20 0.38
GRIA4 P48058 2/20 0.38
GRIK3 Q13003 2/20 0.38
GRIK5 Q16478 2/20 0.38
GRIA1 P42261 1/20 0.38
CA2 P00918 1/20 0.36
KISS1R Q969F8 2/20 0.35
KDM1A O60341 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 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
SCHEMBL8778828 1.00 KDM4E (0.48) KDM4ETSHRGRIK1ALDH1A1TDP1
SCHEMBL3627155 0.98 KDM4E (0.50) KDM4ETSHRGRIK1ALDH1A1TDP1
SCHEMBL3627154 0.98 KDM4E (0.50) KDM4ETSHRGRIK1ALDH1A1TDP1
SCHEMBL7700265 0.98 KDM4E (0.50) KDM4ETSHRGRIK1ALDH1A1TDP1
SCHEMBL10937503 0.82 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL10937515 0.82 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL11802504 0.82 KDM4E (0.48) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL11748378 0.81 KDM4E (0.43) KDM4ETSHRGRIK1ALDH1A1TDP1
SCHEMBL11746585 0.80 KDM4E (0.46) KDM4ETSHRGRIK1GRIK2GRIA2
SCHEMBL9363963 0.80 GRIK1 (0.43) GRIK1ALDH1A1TDP1GRIK2GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0605105-B1 Process for rigid foams ICI PLC (GB) 1999-05-06 EP disclosed
US-5393799-A Reacting reaction product of excess polyisocyanate and fluorinated isocyanate-reactive compound with polyfunctional reactive composition under foam-forming conditions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-02-28 US disclosed
EP-0605105-A1 Process for rigid foams IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-07-06 EP disclosed