SCHEMBL22787159

SCHEMBL22787159

CN/N=C1\CCCc2nc(OCCCC(=O)O)ccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.36
TSHR P16473 1/20 0.35
FFAR4 Q5NUL3 2/20 0.33
GAA P10253 2/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
LMNA P02545 1/20 0.33
FNTA P49354 1/20 0.33
FNTB P49356 1/20 0.33
FFAR1 O14842 1/20 0.33

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
SCHEMBL22787136 0.84 LMNA (0.36) GAALMNA
SCHEMBL22787158 0.84 LMNA (0.36) GAALMNA
SCHEMBL22773520 0.81 LTB4R (0.42) LTB4RLTB4R2
SCHEMBL22787133 0.71 LMNA (0.33) GAALMNA
SCHEMBL22787173 0.69 BRD4 (0.51) LTB4RGAALTB4R2
SCHEMBL22787204 0.68 GRK2 (0.33) GAALMNA
SCHEMBL22787128 0.66 LTB4R (0.38) LTB4RTSHRFFAR4LTB4R2
SCHEMBL21098760 0.65 KDM4E (0.41) FFAR4FFAR1
SCHEMBL22787205 0.64
SCHEMBL16829617 0.63 TSHR (0.48) LTB4RTSHRGAAFFAR1

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
WO-2020248065-A1 UNSATURATED HETEROCYCLOALKYL AND HETEROAROMATIC ACYL HYDRAZONE LINKERS, METHODS AND USES THEREOF ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2020-12-17 WO disclosed