SCHEMBL29285378

SCHEMBL29285378

COc1ccc(COCCOCCCO)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
APP P05067 7/20 0.54
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CALM1 P0DP23 1/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
GBA1 P04062 1/20 0.45
UGCG Q16739 1/20 0.45
GBA2 Q9HCG7 1/20 0.45
CHRM3 P20309 2/20 0.42
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4483666 0.96 L3MBTL1 (0.59) L3MBTL1TDP1APPCA1CA2
SCHEMBL9234752 0.91 L3MBTL1 (0.62) L3MBTL1TDP1APPCA1CA2
SCHEMBL16614410 0.90 L3MBTL1 (0.65) L3MBTL1TDP1APPCA1CA2
SCHEMBL6551488 0.90 L3MBTL1 (0.65) L3MBTL1TDP1APPCA1CA2
SCHEMBL27089915 0.90 L3MBTL1 (0.65) L3MBTL1TDP1APPCA1CA2
SCHEMBL1009895 0.90 L3MBTL1 (0.65) L3MBTL1TDP1APPCA1CA2
SCHEMBL16093231 0.89 APP (0.57) L3MBTL1TDP1APPCA1CA2
SCHEMBL15532554 0.89 APP (0.57) L3MBTL1TDP1APPCA1CA2
SCHEMBL4741980 0.85 TDP1 (0.54) L3MBTL1TDP1APPCA1CA2
SCHEMBL8499580 0.85 IDO1 (0.61) L3MBTL1TDP1APPCA1CA2

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-118317784-A Pyrrolo-benzodiazepine derivative and conjugate thereof, and preparation method and application thereof 江苏恒瑞医药股份有限公司 2024-07-09 CN disclosed