SCHEMBL31069846

SCHEMBL31069846

Oc1cc(OCc2ccccc2)ccc1Br

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.67
CYP1A2 P05177 1/20 0.67
PTGS1 P23219 1/20 0.67
SLC6A2 P23975 1/20 0.67
CYP2C19 P33261 1/20 0.67
PTGS2 P35354 1/20 0.67
SLC6A3 Q01959 1/20 0.67
HIF1A Q16665 1/20 0.67
HDAC6 Q9UBN7 1/20 0.67
MAOB P27338 9/20 0.59
ALOX5 P09917 1/20 0.58
PTGES O14684 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA5A P35218 1/20 0.56
CA7 P43166 1/20 0.56
CA9 Q16790 1/20 0.56
CA5B Q9Y2D0 1/20 0.56

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
SCHEMBL281986 1.00 LMNA (0.67) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL2900304 0.88 LMNA (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL3823883 0.85 MAOB (0.62) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL8599201 0.83 LMNA (0.68) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31533149 0.83 MAOB (0.60) LMNAMAOBMAOARAB9ANR4A2
SCHEMBL30628889 0.82 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL615020 0.82 MAOB (0.59) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL28052026 0.81 GSTP1 (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL31748829 0.81 MAOB (0.54) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL7775902 0.81 CYP1A2 (0.60) LMNACYP1A2PTGS1SLC6A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118515682-A Dolichosin A preparation method and intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN claimed
CN-118515638-A Dolichosin A and preparation method of intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN claimed
CN-118515682-A Dolichosin A preparation method and intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed
CN-118515638-A Dolichosin A and preparation method of intermediate thereof 成都科岭源医药技术有限公司 2024-08-20 CN disclosed