SCHEMBL10902020

SCHEMBL10902020

C[CH]CC(O)CCCCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 8/20 0.47
FFAR1 O14842 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
NFKB1 P19838 1/20 0.44
TRPA1 O75762 1/20 0.41
DDAH1 O94760 1/20 0.41
GAPDH P04406 1/20 0.41
MAPT P10636 1/20 0.41
PSMD14 O00487 2/20 0.40
PLA2G1B P04054 2/20 0.40
MMP2 P08253 2/20 0.40
ATG4B Q9Y4P1 2/20 0.40
HSP90AA1 P07900 1/20 0.40
RAD52 P43351 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
FAAH O00519 1/20 0.40
LMNA P02545 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
SCHEMBL10904485 0.98 GPR84 (0.50) GPR84FFAR1FFAR4NFKB1PSMD14
SCHEMBL10903731 0.98 GPR84 (0.50) GPR84FFAR1FFAR4NFKB1PSMD14
SCHEMBL10901955 0.93
SCHEMBL28116791 0.82
SCHEMBL11193977 0.82 FFAR1 (0.56) GPR84FFAR1FFAR4NFKB1TRPA1
SCHEMBL11193975 0.82 FFAR1 (0.56) GPR84FFAR1FFAR4NFKB1TRPA1
SCHEMBL449788 0.81 FFAR1 (0.64) GPR84FFAR1FFAR4NFKB1PSMD14
SCHEMBL449789 0.81 FFAR1 (0.64) GPR84FFAR1FFAR4NFKB1PSMD14
SCHEMBL9245478 0.80 FFAR1 (0.58) GPR84FFAR1FFAR4NFKB1TRPA1
SCHEMBL6138956 0.79 GPR84 (0.50) GPR84FFAR1FFAR4NFKB1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108290878-A NOVEL FERROPORTIN INHIBITORS 威佛(国际)股份公司 2018-07-17 CN disclosed
US-4590291-A Thrombin inhibitory new dihydroxybenzene ether derivatives BAYER AKTIENGESELLSCHAFT (DE) 1986-05-20 US disclosed
EP-0068250-A1 Dioxybenzene ether derivatives, pharmaceutical compositions containing them, process for the preparation thereof and their use BAYER AG (DE) 1983-01-05 EP disclosed