SCHEMBL22955550

SCHEMBL22955550

O=C(O)/C=C/C[C@H](O)CCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
GABRR1 P24046 2/20 0.39
GABRR2 P28476 2/20 0.39
BLM P54132 2/20 0.39
GABRR3 A8MPY1 1/20 0.39
LMNA P02545 1/20 0.39
APEX1 P27695 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
THRB P10828 1/20 0.39
TP53 P04637 1/20 0.33
FFAR1 O14842 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
EGLN3 Q9H6Z9 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
ACHE P22303 1/20 0.32
BACE1 P56817 1/20 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
SCHEMBL8823395 0.84 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL8823392 0.84 TSHR (0.48) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL30527227 0.83 FFAR1 (0.47) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL30527226 0.83 FFAR1 (0.47) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL1897515 0.82 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL10575391 0.82 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL10575377 0.82 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL5973011 0.82 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL18335046 0.81 FFAR4 (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL18335044 0.81 FFAR4 (0.42) TSHRGABRR1GABRR2BLMGABRR3

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-2021021552-A1 SYNTHESIS OF PRO-RESOLVING ANALOGS AND COMPOSITIONS THEREFOR NOCENDRA INC. (US) 2021-02-04 WO disclosed