SCHEMBL6154920

SCHEMBL6154920

CC(=CCCC(=O)O)c1cccc(SCc2ccc(C(O)O)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
APEX1 P27695 1/20 0.38
SIRT2 Q8IXJ6 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TBXAS1 P24557 2/20 0.37
FFAR1 O14842 1/20 0.36
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL6154908 0.82 FFAR1 (0.38) LTB4RAPEX1SIRT2MEN1KMT2A
SCHEMBL6154924 0.82 FFAR1 (0.38) LTB4RAPEX1SIRT2MEN1KMT2A
SCHEMBL6154913 0.82 FFAR1 (0.38) LTB4RAPEX1SIRT2MEN1KMT2A
SCHEMBL6155411 0.81 LTB4R (0.39) LTB4RSIRT2
SCHEMBL6879981 0.72 TBXAS1 (0.41) APEX1TBXAS1ALDH1A1HPGDCYP2C9
SCHEMBL6879977 0.72 TBXAS1 (0.41) APEX1TBXAS1ALDH1A1HPGDCYP2C9
SCHEMBL6879986 0.72 TBXAS1 (0.41) APEX1TBXAS1ALDH1A1HPGDCYP2C9
SCHEMBL6154250 0.71 AKT1 (0.44) APEX1MEN1KMT2ATBXAS1HPGD
SCHEMBL6154265 0.71 AKT1 (0.44) APEX1MEN1KMT2ATBXAS1HPGD
SCHEMBL6154255 0.71 AKT1 (0.44) APEX1MEN1KMT2ATBXAS1HPGD

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