SCHEMBL6155374

SCHEMBL6155374

CCC(O)(CC)CCCN(C(=O)c1ccccc1)c1cccc(OC(C)c2ccc(C(=O)O)c(C(=O)O)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.36
ALDH1A1 P00352 4/20 0.36
ADRB2 P07550 1/20 0.36
NR1H4 Q96RI1 2/20 0.34
MAPT P10636 1/20 0.34
STAT3 P40763 3/20 0.34
LPAR1 Q92633 1/20 0.33
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
BCL2 P10415 1/20 0.32
PPARA Q07869 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL6156547 0.87 MTNR1A (0.39) ALDH1A1LTB4RLTB4R2
SCHEMBL6157278 0.84 MTNR1A (0.39) ALDH1A1LTB4RLTB4R2
SCHEMBL6156499 0.78 MTNR1A (0.40) ALDH1A1
SCHEMBL6155382 0.77 BCL2 (0.42) ADRA2CBCL2PTGDR2
SCHEMBL6156114 0.75 LTB4R (0.36) ALDH1A1MAPTLTB4RLTB4R2
SCHEMBL6156196 0.75 MTNR1A (0.40) ALDH1A1
SCHEMBL6156554 0.64 BCL2 (0.43) LTB4RLTB4R2BCL2PPARA
SCHEMBL6154639 0.64 CYSLTR2 (0.43)
SCHEMBL28997857 0.62 ADRA2C (0.51) ADRA2CALDH1A1ADRB2NR1H4MAPT
SCHEMBL14966858 0.62 ALDH1A1 (0.45) ALDH1A1NR1H4LTB4RLTB4R2PTGDR2

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