SCHEMBL6154738

SCHEMBL6154738

CC(=CCCC(=O)O)c1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA6 P23280 1/20 0.49
CA9 Q16790 1/20 0.49
TBXAS1 P24557 4/20 0.48
KDM4E B2RXH2 3/20 0.44
ESR1 P03372 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PARP1 P09874 1/20 0.43
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
P4HB P07237 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
SCHEMBL6154731 1.00 CA12 (0.49) CA12CA1CA2CA6CA9
SCHEMBL6156377 1.00 CA12 (0.49) CA12CA1CA2CA6CA9
SCHEMBL6879547 0.91 TBXAS1 (0.56) CA12CA1CA2CA6CA9
SCHEMBL6157831 0.91 TBXAS1 (0.56) CA12CA1CA2CA6CA9
SCHEMBL6157833 0.91 TBXAS1 (0.56) CA12CA1CA2CA6CA9
SCHEMBL6881468 0.84 AKT1 (0.47) CA12CA1CA2CA6CA9
SCHEMBL6881472 0.84 AKT1 (0.47) CA12CA1CA2CA6CA9
SCHEMBL6879049 0.83 TBXAS1 (0.49) TBXAS1KDM4EALDH1A1PARP1MAPT
SCHEMBL6879045 0.83 TBXAS1 (0.49) TBXAS1KDM4EALDH1A1PARP1MAPT
SCHEMBL6879053 0.83 TBXAS1 (0.49) TBXAS1KDM4EALDH1A1PARP1MAPT

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