SCHEMBL25916759

SCHEMBL25916759

N#C/C(=C\c1ccc(O)cc1)C(=O)OC1CO[C@@H]2CCO[C@H]12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ CISD1 Q9NZ45 1/20 0.44
▸ SLC16A3 O15427 1/20 0.44
▸ SLC16A1 P53985 1/20 0.44
▸ GPR35 Q9HC97 1/20 0.44
▸ MEN1 O00255 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ EGFR P00533 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL25718247 0.85 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL26013550 0.85 KDM4E (0.55) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL23312793 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL21901652 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL25916716 0.83 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL25916797 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL21707413 0.76 ALDH1A1 (0.40) ALDH1A1KDM4ESMN1; SMN2CYP3A4HPGD
SCHEMBL26645708 0.76 ALDH1A1 (0.37) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1
SCHEMBL24559440 0.75 BCHE (0.43) ALDH1A1KDM4ESMN1; SMN2CYP3A4HPGD
SCHEMBL24845082 0.72 KDM4E (0.62) ALDH1A1KDM4ESMN1; SMN2HPGDMEN1

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-4036131-B1 IMAGE RECORDING METHOD FUJIFILM CORP (JP) 2023-08-02 — — EP disclosed
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