SCHEMBL29861038

SCHEMBL29861038

CCOc1cc(C=O)ncc1OC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.45
▸ TSHR P16473 1/20 0.41
▸ PDE4D Q08499 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ FDPS P14324 1/20 0.40
▸ ENPP1 P22413 1/20 0.39
▸ TACR2 P21452 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ AMY1A P0DUB6 2/20 0.38
▸ ERN1 O75460 2/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37

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
SCHEMBL21750003 1.00 LMNA (0.45) LMNATSHRPDE4DKDM4EGAA
SCHEMBL1223854 0.87 ALDH1A1 (0.47) LMNATSHRKDM4EMAPTALDH1A1
SCHEMBL21761474 0.83 GAA (0.41) LMNATSHRPDE4DKDM4EGAA
SCHEMBL4144977 0.81 FDPS (0.41) TSHRKDM4EMAPTALDH1A1FDPS
SCHEMBL23963014 0.80 AMY1A (0.42) TSHRPDE4DKDM4EGAAMAPT
SCHEMBL24509891 0.79 LMNA (0.41) LMNATSHRKDM4EMAPTALDH1A1
SCHEMBL21749950 0.79 ALDH1A1 (0.47) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL21749951 0.79 ALDH1A1 (0.47) TSHRKDM4EGAAMAPTMAPK1
SCHEMBL21750017 0.79 NFE2L2 (0.38) LMNATSHRPDE4DKDM4EGAA
SCHEMBL21750019 0.79 NFE2L2 (0.38) LMNATSHRPDE4DKDM4EGAA

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-110291065-B Novel isoindoline derivative, pharmaceutical composition and application thereof 康朴生物医药技术(上海)有限公司 2022-08-19 — — CN disclosed
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