SCHEMBL29035152

SCHEMBL29035152

NCC(=O)OC(=O)CCCOc1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.46
AOC2 O75106 1/20 0.46
DAO P14920 1/20 0.46
MAOA P21397 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 2/20 0.44
FAAH O00519 2/20 0.43
POLB P06746 2/20 0.41
MAPT P10636 1/20 0.41
PARP10 Q53GL7 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR1 P03372 1/20 0.40
CYP19A1 P11511 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL29035288 0.81 POLB (0.51) MAOBKDM4ESMN1; SMN2POLBMAPT
SCHEMBL30530685 0.80 KDM4E (0.53) MAOBKDM4ESMN1; SMN2LTA4HFAAH
SCHEMBL6329715 0.79 LTA4H (0.54) KDM4ESMN1; SMN2LTA4HFAAHMAPT
SCHEMBL3256041 0.76 LTA4H (0.61) KDM4ESMN1; SMN2LTA4HL3MBTL1
SCHEMBL3257350 0.76 BRD4 (0.54) KDM4ESMN1; SMN2LTA4HFAAHMAPT
SCHEMBL25362868 0.75 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2LTA4HFAAH
SCHEMBL13692338 0.75 KDM4E (0.55) MAOBKDM4ESMN1; SMN2LTA4HFAAH
SCHEMBL8806419 0.75 KDM4E (0.51) KDM4ESMN1; SMN2LTA4HFAAHPOLB
SCHEMBL10552333 0.74 L3MBTL1 (0.59) SMN1; SMN2TDP1L3MBTL1
SCHEMBL6330955 0.74 KDM4E (0.55) KDM4ESMN1; SMN2LTA4HFAAHMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116437913-A Pharmaceutical compounds for treating complement-mediated disorders 艾其林医药公司 2023-07-14 CN disclosed