SCHEMBL17129772

SCHEMBL17129772

CCOC(=O)C(C)CSc1nnc(SC)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 1/20 0.45
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.37
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
APEX1 P27695 1/20 0.36
POLB P06746 3/20 0.36
USP2 O75604 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
THRB P10828 1/20 0.36
APOBEC3A P31941 1/20 0.36
APOBEC3G Q9HC16 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
SCHEMBL17117782 0.84 ALDH1A1 (0.43) ALDH1A1GAAHPGDLMNARAB9A
SCHEMBL19757398 0.77 MEN1 (0.32) ALDH1A1GAAHPGDLMNASMN1; SMN2
SCHEMBL16886212 0.75 ALDH1A1 (0.57) ALDH1A1GAAHPGDLMNATSHR
SCHEMBL23137245 0.74 REN (0.38) ALDH1A1GAAHPGDLMNAHTT
SCHEMBL23137241 0.72 FFAR1 (0.42) ALDH1A1GAAHPGDLMNARAB9A
SCHEMBL12707546 0.71 ALDH1A1 (0.42) ALDH1A1GAALMNATSHRTDP1
SCHEMBL12707543 0.71 ALDH1A1 (0.42) ALDH1A1GAALMNATSHRTDP1
SCHEMBL23137234 0.71 FFAR1 (0.44) ALDH1A1HPGDLMNARAB9ATSHR
SCHEMBL9811218 0.70 ALDH1A1 (0.59) ALDH1A1HPGDLMNARAB9ATSHR
SCHEMBL31470706 0.70 ALDH1A1 (0.34) ALDH1A1GAAHPGDRAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150275029-A1 SEALING RESIN COMPOSITION, SEALING FILM, WIRING BOARD, TFT DEVICE, OLED DEVICE, AND LED DEVICE FUJIFILM CORPORATION (JP) 2015-10-01 US disclosed