SCHEMBL29628593

SCHEMBL29628593

CCCCC[C@@H](O)CCC

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.58
FFAR4 Q5NUL3 1/20 0.58
NFKB1 P19838 1/20 0.56
GPR84 Q9NQS5 8/20 0.54
FDPS P14324 4/20 0.48
SPHK1 Q9NYA1 1/20 0.46
CA1 P00915 1/20 0.46
LMNA P02545 1/20 0.46
FAAH O00519 1/20 0.46

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
SCHEMBL510814 1.00 FFAR1 (0.58) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL16683837 1.00 FFAR1 (0.58) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL77285 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL22395574 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL7661582 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL7670933 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL12152020 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL105856 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL2990323 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS
SCHEMBL378816 0.97 FFAR1 (0.61) FFAR1FFAR4NFKB1GPR84FDPS

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-111971277-B Benzothiophenes and related compounds as STING agonists 默沙东有限责任公司 2023-06-06 CN disclosed
CN-108779076-B 5-methyl-6-phenyl-4, 5-dihydro-2H-pyridazin-3-one derivatives 大塚制药株式会社 2022-05-03 CN disclosed
CN-110036001-B Benzo [ b ] thiophene compounds as STING agonists 默沙东公司 2022-03-22 CN disclosed