SCHEMBL7778248

SCHEMBL7778248

CN(Cc1ccc(CO)c(CO)c1)c1cccc(CC=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.36
PPARA Q07869 2/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
VDR P11473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
S1PR1 P21453 2/20 0.32
SIGMAR1 Q99720 3/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
RXRG P48443 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAOB P27338 1/20 0.31
HSD17B3 P37058 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
SCHEMBL6155897 0.80 PPARA (0.45) FFAR1PPARAHDAC1RXRARXRB
SCHEMBL7778148 0.77 VDR (0.43) VDR
SCHEMBL7778151 0.76 PPARA (0.32) PPARA
SCHEMBL4664442 0.73 EGFR (0.38) VDR
SCHEMBL1295097 0.71 HDAC1 (0.46) HDAC1HDAC6SIGMAR1KMT2AL3MBTL1
SCHEMBL6435746 0.71 NOS1 (0.48)
SCHEMBL13241076 0.69 HRH3 (0.46) KMT2AL3MBTL1MAOB
Hydrochloric Acid SCHEMBL9455015 0.69 NR1H2 (0.45) PPARASLC16A3SLC16A1CRHBPCRHR2
SCHEMBL5699188 0.68 ALDH1A1 (0.50)
SCHEMBL19248505 0.68 MAPT (0.37) PPARAVDRKMT2AL3MBTL1HSD17B3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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