SCHEMBL6885547

SCHEMBL6885547

CC(=O)c1cccc(SC(=O)N(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.43
HPGD P15428 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
APEX1 P27695 1/20 0.37
CREBBP Q92793 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9711113 0.81 ALDH1A1 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL22852718 0.79 TERT (0.47) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL9711117 0.78 HPGD (0.57) ALDH1A1HPGDKMT2ATDP1SMN1; SMN2
SCHEMBL27957709 0.77 ALDH1A1 (0.59) ALDH1A1HTTHPGDCYP1A2CYP2C9
SCHEMBL11641105 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10MEN1KMT2ASMN1; SMN2
SCHEMBL5152999 0.77 ALDH1A1 (0.45) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL27957710 0.77 HPGD (0.46) ALDH1A1HTTHPGDCYP1A2CYP2C9
SCHEMBL6879981 0.76 TBXAS1 (0.41) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL6879977 0.76 TBXAS1 (0.41) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10
SCHEMBL6879986 0.76 TBXAS1 (0.41) ALDH1A1HPGDCYP1A2CYP2C9HSD17B10

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
CN-1282636-C Vitamin D analogues GALDERMA RES & DEV (FR) 2006-11-01 CN 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
CN-1332711-A Vitamin D analogues GALDERMA RES & DEV (FR) 2002-01-23 CN disclosed