SCHEMBL9954812

SCHEMBL9954812

CC(C)C(CCCCCCCCCCCCCCCCO)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
GPR84 Q9NQS5 4/20 0.39
FFAR1 O14842 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
MAPT P10636 1/20 0.36
LCK P06239 1/20 0.36
PPARD Q03181 1/20 0.36
ZDHHC20 Q5W0Z9 1/20 0.36
ZDHHC2 Q9UIJ5 1/20 0.36
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL29061431 0.98 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL31544402 0.91 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL31544399 0.91 SLC1A3 (0.48) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL16140111 0.89 SLC1A3 (0.50) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL2902832 0.84 BLM (0.47) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL157760 0.84 BLM (0.47) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL9721927 0.83 GPR84 (0.38) SLC1A3SLC1A2SLC1A1GPR84FFAR1
SCHEMBL2830699 0.83 GPR84 (0.57) GPR84FFAR1FFAR4ACE2MAPT
SCHEMBL26421 0.83 GPR84 (0.57) GPR84FFAR1FFAR4ACE2MAPT
SCHEMBL10786248 0.83 GPR84 (0.57) GPR84FFAR1FFAR4ACE2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2654665-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA Pharma Gesellschaft für die Entwicklung und Vermarktung pharmazeutischer Produkte mbH (DE) 2013-10-30 EP disclosed
WO-2012083906-A2 METHOD FOR DEVELOPING A LIQUID COMPOSITION TO BE APPLIED TO THE SKIN AS A FOAM AND A COMPOSITION THAT CAN BE APPLIED TOPICALLY MIKA PHARMA GESELLSCHAFT FÜR DIE ENTWICKLUNG UND VERMARKTUNG PHARMAZEUTISCHER PRODUKTE MBH (DE) 2012-06-28 WO disclosed