SCHEMBL6157831

SCHEMBL6157831

C/C(=C/CCCC(=O)O)c1cccc(O)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 15/20 0.56
ESR1 P03372 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA6 P23280 1/20 0.46
CA9 Q16790 1/20 0.46
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PARP1 P09874 1/20 0.41
TBXA2R P21731 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 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
SCHEMBL6157833 1.00 TBXAS1 (0.56) TBXAS1ESR1CA12CA1CA2
SCHEMBL6879547 1.00 TBXAS1 (0.56) TBXAS1ESR1CA12CA1CA2
SCHEMBL6156377 0.91 CA12 (0.49) TBXAS1ESR1CA12CA1CA2
SCHEMBL6154738 0.91 CA12 (0.49) TBXAS1ESR1CA12CA1CA2
SCHEMBL6154731 0.91 CA12 (0.49) TBXAS1ESR1CA12CA1CA2
SCHEMBL6883261 0.82 TBXAS1 (0.46) TBXAS1CA12CA1CA2CA6
SCHEMBL6883259 0.82 TBXAS1 (0.46) TBXAS1CA12CA1CA2CA6
SCHEMBL10360885 0.81 ESR1 (0.39) TBXAS1ESR1CA12CA1CA2
SCHEMBL10360886 0.81 ESR1 (0.39) TBXAS1ESR1CA12CA1CA2
SCHEMBL6881468 0.78 AKT1 (0.47) TBXAS1CA12CA1CA2CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1124779-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2005-02-02 EP disclosed
US-6689922-B1 BIAROMATIC COMPOUNDS WHICH ARE ANALOGUES OF VITAMIN D HAVE A MARKED ACTIVITY IN THE FIELDS OF CELL DIFFERENTIATION AND PROLIFERATION GALDERMA RESEARCH & DEVELOPMENT S.N.C. (FR) 2004-02-10 US disclosed
EP-1124779-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2001-08-22 EP disclosed
WO-2000026167-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2000-05-11 WO disclosed