SCHEMBL2858749

SCHEMBL2858749

CCC(=O)c1ccc(-c2cc(NCc3ccc(C(O)O)cc3)ccc2C)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
NR1H4 Q96RI1 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL2858744 0.82 VDR (0.38) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2856205 0.76 ALDH1A1 (0.45) MAPTALDH1A1NPC1RAB9ACYP1A2
SCHEMBL6472980 0.75 RAB9A (0.42) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2877573 0.73 RAB9A (0.42) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2858262 0.72 VDR (0.43) ALDH1A1L3MBTL1RARBPPARA
SCHEMBL2854898 0.69 NPC1 (0.42) MAPTALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL2863419 0.68 RAB9A (0.42) MAPTALDH1A1NPC1RAB9ACYP1A2
SCHEMBL28065934 0.68 MAPT (0.53) MAPTALDH1A1L3MBTL1CYP2D6MEN1
SCHEMBL14947561 0.67 MAPT (0.49) MAPTALDH1A1NPC1RAB9ALMNA
SCHEMBL14947562 0.67 MAPT (0.49) MAPTALDH1A1NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456160-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2010-01-20 EP disclosed
EP-1456160-A2 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-09-15 EP disclosed
WO-2003050067-A2 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, SNC (FR) 2003-06-19 WO disclosed