SCHEMBL3858633

SCHEMBL3858633

CCCCC(CCC)C(CC)(CCCC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.37
MAPK1 P28482 1/20 0.37
FDPS P14324 1/20 0.36
CA1 P00915 3/20 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
TDP1 Q9NUW8 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 1/20 0.33
SLC1A1 P43005 1/20 0.33
GPR84 Q9NQS5 5/20 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
SCHEMBL11275518 0.94 CA2 (0.33) CA2MAPK1FDPSCA1MAPT
SCHEMBL2904335 0.91 FDPS (0.46) CA2FDPSGPR84FFAR1HSPD1
SCHEMBL9954679 0.90 GPR84 (0.42) FDPSGPR84FFAR1HSPD1BLM
SCHEMBL5683420 0.90 GPR84 (0.42) FDPSGPR84FFAR1HSPD1BLM
SCHEMBL9955355 0.90 GPR84 (0.42) FDPSGPR84FFAR1HSPD1BLM
SCHEMBL15412278 0.89 GPR84 (0.44) FDPSGPR84FFAR1HSPD1BLM
SCHEMBL9331686 0.89 GPR84 (0.44) FDPSGPR84FFAR1HSPD1BLM
SCHEMBL27872756 0.89 CA2 (0.42) CA2MAPK1FDPSCA1SLC1A3
Ammonia Solution, Strong SCHEMBL27639837 0.87 CA2 (0.41) CA2MAPK1FDPSCA1SLC1A3
SCHEMBL27998671 0.85 FFAR4 (0.50) TDP1GPR84FFAR1MAPTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117343588-A Acrylic resin coating and coated article 湖南湘江关西涂料有限公司 2024-01-05 CN claimed
CN-117343588-A Acrylic resin coating and coated article 湖南湘江关西涂料有限公司 2024-01-05 CN disclosed
US-7589148-B2 Preparation of a polyurethane dispersion with blocked isocyanate groups BAYER MATERIALSCIENCE AG (DE) 2009-09-15 US disclosed
US-20070129488-A1 Preparation of a polyurethane dispersion with blocked isocyanate groups BAYER MATERIALSCIENCE AG 2007-06-07 US disclosed
US-4546138-A Process for the production of polyamide imides by using a phenol in the workup of the material BAYER AKTIENGESELLSCHAFT (DE) 1985-10-08 US disclosed