SCHEMBL29975798

SCHEMBL29975798

COCOc1cc2cc(C(=O)O)sc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 17/20 0.59
ACHE P22303 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL25692520 1.00 STING1 (0.59) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL25692519 0.90 STING1 (0.54) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL1589579 0.88 STING1 (0.68) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL10641965 0.87 STING1 (0.60) STING1
SCHEMBL10642176 0.87 STING1 (0.60) STING1
SCHEMBL29975646 0.85 STING1 (0.53) STING1
SCHEMBL10534199 0.85 STING1 (0.58) STING1ACHE
SCHEMBL20562443 0.85 STING1 (0.53) STING1
SCHEMBL31081141 0.84 STING1 (0.58) STING1ACHEHDAC3HDAC4HDAC1
SCHEMBL10646845 0.84 STING1 (0.56) STING1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024032782-A1 VACCINE ADJUVANTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO.LTD. (CN) 2024-02-15 WO disclosed
EP-4313962-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF Jacobio Pharmaceuticals Co., Ltd. (CN) 2024-02-07 EP disclosed
CN-117203194-A Novel compounds useful as STING agonists and uses thereof 北京加科思新药研发有限公司 2023-12-08 CN disclosed
WO-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 WO disclosed
WO-2022206725-A1 NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 WO disclosed