SCHEMBL5452167

SCHEMBL5452167

CCCCCCCCCCCCCCCCc1ncccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KCNH2 Q12809 2/20 0.43
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HTR2A P28223 1/20 0.39
GCGR P47871 1/20 0.38
DHFR P00374 1/20 0.38
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
USP2 O75604 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TBXAS1 P24557 1/20 0.36

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
SCHEMBL22166126 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL19304381 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL21076459 1.00 TDP1 (0.47) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL6668385 0.98 TDP1 (0.49) TDP1L3MBTL1KCNH2KDM1AMAOA
SCHEMBL19865639 0.93 L3MBTL1 (0.42) TDP1L3MBTL1KDM1AMAOAMAOB
SCHEMBL10116180 0.85 KDM1A (0.43) L3MBTL1KDM1AMAOAMAOBKDM4E
SCHEMBL11218925 0.81 HRH1 (0.50) KDM1AMAOAMAOB
SCHEMBL23768448 0.80 TDP1 (0.49) TDP1L3MBTL1KCNH2ALOX15HTT
SCHEMBL1425613 0.80 TDP1 (0.49) TDP1L3MBTL1KCNH2ALOX15HTT
SCHEMBL20099796 0.80 CXCR4 (0.44) L3MBTL1KDM1AMAOAMAOBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117320683-A Oral care compositions 高露洁-棕榄公司 2023-12-29 CN claimed
CN-118317986-A Hydrophobically modified and hydrophilically modified maleated natural oils, salts, compositions and methods of use 埃斯普投资有限公司 2024-07-09 CN disclosed
CN-118234476-A Oral care compositions comprising glycolipids and mild surfactants 巴斯夫欧洲公司 2024-06-21 CN disclosed
CN-117425464-A Oral care compositions 高露洁-棕榄公司 2024-01-19 CN disclosed
CN-117320683-A Oral care compositions 高露洁-棕榄公司 2023-12-29 CN disclosed
CN-116685303-A Oral care compositions comprising ascorbic acid derivatives 高露洁-棕榄公司 2023-09-01 CN disclosed
US-20070081952-A1 Composition for the treatment of bad breath SOCIETE ECUPHAR NV (BE) 2007-04-12 US disclosed