SCHEMBL25875336

SCHEMBL25875336

CC(=O)COCCOCC(=O)NCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 6/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
CES2 O00748 1/20 0.40
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MMP1 P03956 1/20 0.37
MMP8 P22894 1/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
RECQL P46063 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL23729793 0.92 LMNA (0.46) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL25516107 0.84 LMNA (0.43) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL25524815 0.84 LMNA (0.43) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL26147450 0.84 LMNA (0.43) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL26445199 0.84 SMN1; SMN2 (0.43) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL26445198 0.84 SMN1; SMN2 (0.43) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL20100737 0.83 LMNA (0.45) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL25831024 0.83 KMT2A (0.46) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL23560301 0.83 KMT2A (0.46) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL26700453 0.82 LMNA (0.42) LMNASMN1; SMN2HPGDALDH1A1CYP2D6

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
WO-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed