SCHEMBL24559440

SCHEMBL24559440

N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)O[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.43
▸ KDM4E B2RXH2 6/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MCL1 Q07820 1/20 0.42
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ IDE P14735 1/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PLK1 P53350 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NEK2 P51955 1/20 0.40
▸ HPGD P15428 2/20 0.39
▸ CISD1 Q9NZ45 1/20 0.39
▸ SLC16A3 O15427 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ SLC16A1 P53985 1/20 0.39

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
SCHEMBL12675469 0.94 BCHE (0.46) BCHEALDH1A1KDM4ESMN1; SMN2MCL1
SCHEMBL24484302 0.85 KDM4E (0.62) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL25793345 0.85 KDM4E (0.62) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL24845082 0.85 KDM4E (0.62) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL24559356 0.84 ALDH1A1 (0.43) BCHEALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL25141853 0.81 KDM4E (0.58) BCHEALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL20827817 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL21793545 0.80 ALDH1A1 (0.47) ALDH1A1KDM4ESMN1; SMN2MAPTNPC1
SCHEMBL10076808 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2GAAMAPT
SCHEMBL24559358 0.78 MAPT (0.44) BCHEALDH1A1KDM4ESMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834600-B2 Liquid crystal composition, optical film, circularly polarizing plate for organic EL display, and method for producing optically anisotropic layer FUJIFILM CORPORATION (JP) 2023-12-05 — — US disclosed
US-20220204855-A1 LIQUID CRYSTAL COMPOSITION, OPTICAL FILM, CIRCULARLY POLARIZING PLATE FOR ORGANIC EL DISPLAY, AND METHOD FOR PRODUCING OPTICALLY ANISOTROPIC LAYER FUJIFILM CORPORATION (JP) 2022-06-30 — — US disclosed
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