SCHEMBL20549004

SCHEMBL20549004

CCCCC(CC)CC(O)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 4/20 0.56
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
ATM Q13315 1/20 0.46
CA2 P00918 3/20 0.46
ALDH1A1 P00352 3/20 0.45
SLC22A6 Q4U2R8 1/20 0.43
MAPK1 P28482 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
FFAR1 O14842 1/20 0.42
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL14283478 0.82 GPR84 (0.68) GPR84CA2SLC22A6MAPK1FFAR4
SCHEMBL14283389 0.82 GPR84 (0.68) GPR84CA2SLC22A6MAPK1FFAR4
SCHEMBL140442 0.82 ALDH1A1 (0.54) GPR84TSHRTDP1CYP3A4ATM
SCHEMBL9176596 0.82 ALDH1A1 (0.54) GPR84TSHRTDP1CYP3A4ATM
SCHEMBL4440711 0.82 ALDH1A1 (0.54) GPR84TSHRTDP1CYP3A4ATM
SCHEMBL3660235 0.82 ALDH1A1 (0.58) TSHRTDP1CYP3A4ATMCA2
SCHEMBL29057725 0.81 CYP3A4 (0.42) GPR84TSHRTDP1CYP3A4ATM
Hydrochloric Acid SCHEMBL10578864 0.80 ALDH1A1 (0.52) GPR84TSHRTDP1CYP3A4ATM
SCHEMBL8681836 0.80 ALDH1A1 (0.52) GPR84TSHRTDP1CYP3A4ATM
SCHEMBL10617533 0.80 ALDH1A1 (0.52) GPR84TSHRTDP1CYP3A4ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3174844-B1 IMPROVED METHOD FOR PRODUCING ALKYL (METH)ACRYLATES ARKEMA FRANCE (FR) 2018-11-07 EP disclosed