SCHEMBL28522874

SCHEMBL28522874

NC(=O)OC(CO)CCCO

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL28772648 0.92 MAPT (0.35) MAPTMAPK1LMNACHRM2CHRM4
SCHEMBL11520643 0.86 MAPT (0.35) MAPTMAPK1LMNACHRM2CHRM4
SCHEMBL28331579 0.86 MAPT (0.35) MAPTMAPK1LMNACHRM2CHRM4
SCHEMBL9230199 0.85 GPR84 (0.33) MAPTLMNACHRM2CHRM4CHRM5
SCHEMBL28502070 0.83 MAPT (0.47) MAPTMAPK1
SCHEMBL1437244 0.83 MAPT (0.47) MAPTMAPK1
SCHEMBL6121593 0.83 MAPT (0.47) MAPTMAPK1
SCHEMBL11752280 0.82 CTSK (0.39) MAPTMAPK1LMNACHRM2CHRM4
SCHEMBL28821459 0.82 LMNA (0.33) MAPTLMNACHRM2CHRM4CHRM5
SCHEMBL28821460 0.82 LMNA (0.33) MAPTLMNACHRM2CHRM4CHRM5

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-112351778-B Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2023-04-04 CN disclosed
CN-112351778-A Fused tricyclic heterocycles and therapeutic uses thereof 江苏恒瑞医药股份有限公司 2021-02-09 CN disclosed