SCHEMBL29558512

SCHEMBL29558512

Cc1c(CO)cccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 12/20 1.00
▸ PDCD1 Q15116 3/20 1.00
▸ EPHX1 P07099 2/20 0.48
▸ DPP4 P27487 1/20 0.47
▸ PTGS1 P23219 1/20 0.46
▸ KMT2A Q03164 1/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ BCL2L1 Q07817 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL358303 1.00 CD274 (1.00) CD274PDCD1EPHX1DPP4PTGS1
SCHEMBL16245269 0.87 PDCD1 (0.76) CD274PDCD1EPHX1PTGS1KMT2A
SCHEMBL607544 0.83 CD274 (0.71) CD274PDCD1EPHX1DPP4PTGS1
SCHEMBL18367730 0.82 CD274 (0.70) CD274PDCD1EPHX1KMT2AHSD17B10
SCHEMBL22401073 0.82 PDCD1 (0.70) CD274PDCD1EPHX1PTGS1
SCHEMBL30828918 0.82 PDCD1 (0.70) CD274PDCD1EPHX1PTGS1
SCHEMBL11074941 0.82 PDCD1 (0.69) CD274PDCD1EPHX1ALDH1A1
SCHEMBL30091380 0.82 PDCD1 (0.69) CD274PDCD1EPHX1ALDH1A1
SCHEMBL21153739 0.82 CD274 (0.69) CD274PDCD1EPHX1DPP4PTGS1
SCHEMBL7107915 0.82 CD274 (0.69) CD274PDCD1EPHX1DPP4PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114573563-A Bifunctional molecular compound for inducing PD-L1 protein degradation and preparation and application thereof 沈阳药科大学 2022-06-03 — — CN claimed
CN-119768390-A Novel bicyclo PD-L1 inhibitor and preparation method and medical application thereof 西安新通药物研究股份有限公司 2025-04-04 — — CN disclosed
CN-119350185-A Biphenyl hydroxamic derivative and preparation method and application thereof 聊城大学 2025-01-24 — — CN disclosed
WO-2025007113-A2 MITOCHONDRIAL COMPLEX I INHIBITORS WITH REDUCED PHOSPHODIESTERASE INHIBITION OHIO STATE INNOVATION FOUNDATION (US) 2025-01-02 — — WO disclosed
CN-116283896-B Biphenyl compound with PD-L1 inhibition activity and application thereof 广东晨康生物科技有限公司 2024-10-29 — — CN disclosed
CN-114573563-B Bifunctional molecular compound for inducing PD-L1 protein degradation and preparation and application thereof 沈阳药科大学 2024-07-02 — — CN disclosed
CN-117986158-A Substituted biphenyl compound, preparation method and application 云南大学 2024-05-07 — — CN disclosed
EP-4359391-A1 TRIAZINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AND NEURODEGENERATIVE DISORDERS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2024-05-01 — — EP disclosed
CN-113582971-B Small molecule immunosuppressant, preparation method and application thereof 北京康辰药业股份有限公司 2023-10-20 — — CN disclosed
EP-4117647-A1 COMPOUNDS WITH IMMUNOMODULATORY ACTIVITY AND THERAPEUTIC USES THEREOF Purdue Research Foundation (US) 2023-01-18 — — EP disclosed
WO-2022269532-A1 TRIAZINE DERIVATIVES FOR THE TREATMENT OF TUMOURS AND NEURODEGENERATIVE DISORDERS UNIVERSITA' DEGLI STUDI DI MILANO (IT) 2022-12-29 — — WO disclosed
CN-113387840-B PD-1/PD-L1 and HDACs double-target inhibitor, preparation method and application 中国药科大学 2022-11-08 — — CN disclosed
CN-114573563-A Bifunctional molecular compound for inducing PD-L1 protein degradation and preparation and application thereof 沈阳药科大学 2022-06-03 — — CN disclosed
CN-112724148-B Imidazopyridazine compound, modified amphiphilic functional molecule and application thereof 上海药明康德新药开发有限公司 2022-04-12 — — CN disclosed
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