SCHEMBL28628107

SCHEMBL28628107

CCOC(=O)Cc1cc(CC2CC2)cs1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL16563717 0.82 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28650107 0.79 LTB4R (0.35)
SCHEMBL6976089 0.79 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27869621 0.78 CYP4F2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL7958215 0.74 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1HTT
SCHEMBL13141285 0.71 SMN1; SMN2 (0.41) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11190008 0.71 L3MBTL1 (0.47) SMN1; SMN2KMT2AL3MBTL1NPC1RAB9A
SCHEMBL11136653 0.70 F11 (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1MAPT
SCHEMBL31063616 0.69 CA1 (0.51) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31063163 0.69 CA1 (0.48) MEN1KMT2AALDH1A1

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
CN-108430973-B ROR gamma modulators 领先制药控股公司 2021-09-21 CN disclosed