SCHEMBL29198633

SCHEMBL29198633

CCCOS(=O)(=O)c1ccc(C)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.44
PTGER1 P34995 3/20 0.43
PTGER4 P35408 3/20 0.43
PTGER3 P43115 3/20 0.43
PTGER2 P43116 3/20 0.43
CYP19A1 P11511 3/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAOB P27338 1/20 0.40
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
KDM4E B2RXH2 2/20 0.39
AR P10275 1/20 0.38

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
SCHEMBL29198559 0.90 KDM4E (0.41) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL28514735 0.90 MRGPRX4 (0.45) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL10511076 0.83 MRGPRX4 (0.46) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL28379759 0.82 SMN1; SMN2 (0.40) L3MBTL1TDP1KDM4E
SCHEMBL11463324 0.81 MRGPRX4 (0.44) MRGPRX4PTGER1PTGER4PTGER3PTGER2
SCHEMBL21647406 0.81 KDM4E (0.40) MRGPRX4CYP19A1MAPTL3MBTL1MAPK1
SCHEMBL25360195 0.81 KDM4E (0.41) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL21647535 0.81 KDM4E (0.41) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL21647514 0.81 KDM4E (0.41) MRGPRX4MAPTL3MBTL1MAPK1TDP1
SCHEMBL28331355 0.80 L3MBTL1 (0.44) MAPTL3MBTL1MAPK1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118055920-A Process for producing fluorinated polyether 株式会社力森诺科 2024-05-17 CN disclosed
CN-117425661-A Macrocyclic LRRK2 kinase inhibitors 法国施维雅药厂 2024-01-19 CN disclosed