SCHEMBL6565140

SCHEMBL6565140

C/C(=C\CCC(=O)O)c1csc(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.38
DAO P14920 2/20 0.33
IMPDH2 P12268 1/20 0.32
MAPT P10636 2/20 0.31
FFAR1 O14842 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP19A1 P11511 1/20 0.31
RXRA P19793 1/20 0.31
PPARG P37231 1/20 0.31
OXER1 Q8TDS5 1/20 0.31
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
GSK3B P49841 1/20 0.30
BACE1 P56817 1/20 0.30
F13A1 P00488 3/20 0.30
NPSR1 Q6W5P4 1/20 0.30
S1PR1 P21453 2/20 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
SCHEMBL6565151 1.00 TBXAS1 (0.38) TBXAS1DAOIMPDH2MAPTFFAR1
SCHEMBL6565148 1.00 TBXAS1 (0.38) TBXAS1DAOIMPDH2MAPTFFAR1
SCHEMBL6562909 0.77 CES2 (0.46) TBXAS1DAOIMPDH2MAPTFFAR1
SCHEMBL6562903 0.77 CES2 (0.46) TBXAS1DAOIMPDH2MAPTFFAR1
SCHEMBL6562893 0.77 CES2 (0.46) TBXAS1DAOIMPDH2MAPTFFAR1
SCHEMBL6566343 0.74
SCHEMBL6566340 0.74
SCHEMBL6566345 0.74
SCHEMBL6879053 0.73 TBXAS1 (0.49) TBXAS1MAPTALDH1A1
SCHEMBL6879045 0.73 TBXAS1 (0.49) TBXAS1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1214022-C Vitamin D analogues GALDERMA RES & DEV (FR) 2005-08-10 CN disclosed
EP-1235824-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2004-05-19 EP disclosed
US-6706725-B1 BIAROMATIC COMPOUNDS WHICH ARE VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-03-16 US disclosed
CN-1423645-A Vitamin D analogues GALDERMA RES & DEV (FR) 2003-06-11 CN disclosed
EP-1235824-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2002-09-04 EP disclosed
WO-2001038320-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2001-05-31 WO disclosed