SCHEMBL8973063

SCHEMBL8973063

CCCCCNC(C)CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 6/20 0.46
PLA2G10 O15496 1/20 0.43
EPHX1 P07099 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
AKR1B1 P15121 1/20 0.41
EPHX2 P34913 1/20 0.41
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
TSHR P16473 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
SLC22A8 Q8TCC7 1/20 0.40
TLR2 O60603 1/20 0.40
MEN1 O00255 1/20 0.40
ESR1 P03372 1/20 0.40
FABP4 P15090 1/20 0.40

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
SCHEMBL18159303 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL18158981 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL2749655 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL25305499 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL1248366 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL25244991 0.98 GPR84 (0.48) GPR84PLA2G10EPHX1PPARGPPARD
SCHEMBL11134700 0.94 GPR84 (0.42) GPR84PLA2G10EPHX1KDM4EAKR1B1
Dapabutan SCHEMBL30444141 0.91 ALDH1A1 (0.43) GPR84PLA2G10EPHX1EPHX2TSHR
SCHEMBL10527158 0.90 PLA2G10 (0.57) PLA2G10EPHX2PPARGPPARDPPARA
SCHEMBL10527171 0.90 PLA2G10 (0.57) PLA2G10EPHX2PPARGPPARDPPARA

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
US-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 US disclosed