SCHEMBL3279952

SCHEMBL3279952

CCC1(c2cccc(C=O)c2)OCCO1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
UNG P13051 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
DRD3 P35462 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
BRD4 O60885 1/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP2A6 P11509 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL28875142 0.83 L3MBTL1 (0.36) ALDH1A1TDP1
SCHEMBL6564844 0.82 BRD4 (0.37) DRD2DRD1DRD4DRD5DRD3
SCHEMBL856168 0.79 ALDH1A1 (0.40) ALDH1A1UNGMAOAMAOBBRD4
SCHEMBL13593734 0.77 CHRNA1 (0.41)
SCHEMBL3283931 0.76 PTPN1 (0.41)
SCHEMBL3280576 0.76 CHRNA1 (0.41) ALDH1A1
SCHEMBL3127971 0.75 ALDH1A1 (0.37) ALDH1A1UNGMAOAMAOBBRD4
SCHEMBL14779113 0.74 TSHR (0.47) ALDH1A1TDP1
SCHEMBL309992 0.69 ALDH1A1 (0.44) ALDH1A1UNGMAOAMAOBBRD4
SCHEMBL3652080 0.69 ALDH1A1 (0.40) ALDH1A1UNGMAOAMAOBBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7700657-B2 Vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-04-20 US disclosed
EP-1395538-B1 VITAMIN D ANALOGUES GALDERMA RES & DEV (FR) 2009-12-30 EP disclosed
CN-1267394-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-08-02 CN disclosed
CN-1549803-A Vitamin D analogues �������о�����չ˽�����޹�˾ 2004-11-24 CN disclosed
US-20040224929-A1 Novel vitamin D analogs GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-11-11 US disclosed
EP-1395538-A1 VITAMIN D ANALOGUES Galderma Research & Development, S.N.C. (FR) 2004-03-10 EP disclosed
WO-2002094754-A1 VITAMIN D ANALOGUES GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2002-11-28 WO disclosed