SCHEMBL23739841

SCHEMBL23739841

O=CCCC(C=O)N1Cc2c(OCCCC(=O)N3CCCc4ccccc43)cccc2C1=O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ LMNA P02545 6/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.53
▸ GAA P10253 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ ALDH1A1 P00352 9/20 0.50
▸ TSHR P16473 2/20 0.49
▸ POLB P06746 1/20 0.49
▸ HPGD P15428 1/20 0.48
▸ PKM P14618 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ HTT P42858 4/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 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
SCHEMBL23739465 0.87 MAPT (0.51) MAPTLMNANPSR1GAAMEN1
SCHEMBL23739657 0.85 ALDH1A1 (0.48) MAPTLMNANPSR1GAAMEN1
SCHEMBL23739880 0.82 ALDH1A1 (0.47) MAPTLMNANPSR1GAAMEN1
SCHEMBL23739663 0.80 MAPT (0.48) MAPTLMNANPSR1GAAMEN1
SCHEMBL23739743 0.79 HTR2A (0.33) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL23739718 0.79 ADAMTS5 (0.39) MAPTLMNANPSR1MEN1KMT2A
SCHEMBL1953023 0.77 MAPT (0.67) MAPTLMNANPSR1GAAMEN1
SCHEMBL1833488 0.77 MAPT (0.70) MAPTLMNANPSR1GAAMEN1
SCHEMBL1832903 0.77 MAPT (0.70) MAPTLMNANPSR1GAAMEN1
SCHEMBL1835297 0.74 MAPT (0.63) MAPTLMNANPSR1GAAMEN1

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
EP-3862348-A1 ISOINDOLINE COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE THEREOF Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2021-08-11 — — EP disclosed
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