SCHEMBL28654142

SCHEMBL28654142

Cc1cc(C=C(O)C(O)C(O)C(O)C(O)CO)ccc1Cl

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MCL1 Q07820 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MEN1 O00255 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6015169 0.90 KMT2A (0.35) KMT2ASMN1; SMN2MCL1MEN1
SCHEMBL27420276 0.89 CYP3A4 (0.33) PDE4AKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL376017 0.89 CYP3A4 (0.33) PDE4AKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL20505218 0.87 PDE4A (0.36) PDE4AKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL177517 0.87 PDE4A (0.36) PDE4AKMT2ASMN1; SMN2LMNAMEN1
SCHEMBL376418 0.87 ALDH1A1 (0.36) PDE4AKMT2ALMNATDP1
SCHEMBL28173815 0.87 ALDH1A1 (0.36) PDE4AKMT2ALMNATDP1
SCHEMBL27476451 0.86 CYP3A4 (0.35) KMT2ASMN1; SMN2LMNAMEN1MAPT
SCHEMBL376118 0.86 CYP3A4 (0.35) KMT2ASMN1; SMN2LMNAMEN1MAPT
Water SCHEMBL28585861 0.85 PDE4A (0.34) PDE4AKMT2ASMN1; SMN2LMNAMEN1

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-110305414-B Polyolefin composition and process for preparing the same 赣州蓝风科技有限公司 2021-11-26 — — CN disclosed
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