SCHEMBL6156119

SCHEMBL6156119

CCN(C(=O)CCC(C)(C)O)c1cccc(OCc2ccc(C(C(=O)O)C(=O)O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
ADAMTS4 O75173 1/20 0.39
APP P05067 1/20 0.38
PDK1 Q15118 1/20 0.36
PDK2 Q15119 1/20 0.36
PDK3 Q15120 1/20 0.36
PDK4 Q16654 1/20 0.36
FFAR1 O14842 3/20 0.36
ACACB O00763 1/20 0.36
MAOB P27338 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ALOX5 P09917 1/20 0.36
BCL2 P10415 1/20 0.35
BCHE P06276 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6156109 0.82 CFD (0.39) NR4A1NR4A2NR4A3APPFFAR1
SCHEMBL6156502 0.80 BCL2 (0.44) NR4A1NR4A2NR4A3ADAMTS4APP
SCHEMBL6156207 0.80 MTNR1A (0.42) NR4A1NR4A2NR4A3ADAMTS4APP
SCHEMBL6879721 0.76 ACACA (0.48) NR4A1NR4A2NR4A3PDK1PDK2
SCHEMBL6155382 0.75 BCL2 (0.42) NR4A1NR4A2NR4A3MAOBALOX5
SCHEMBL6156114 0.75 LTB4R (0.36) LTB4RLTB4R2BCHEKMT2A
SCHEMBL6156554 0.75 BCL2 (0.43) ADAMTS4APPLTB4RLTB4R2ALOX5
SCHEMBL6157286 0.74 BCL2 (0.41) ADAMTS4APPLTB4RLTB4R2ALOX5
SCHEMBL6155416 0.74 HSP90AA1 (0.38) KMT2A
SCHEMBL6887560 0.73 BCHE (0.53) BCHEKMT2ASMN1; SMN2

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