SCHEMBL8970976

SCHEMBL8970976

C=CCC(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.55
ALDH1A1 P00352 10/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
HSD11B1 P28845 1/20 0.51
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
MAPT P10636 2/20 0.47
MAPK1 P28482 2/20 0.47
KDM4E B2RXH2 2/20 0.46
HSP90AA1 P07900 1/20 0.46
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.43
HTT P42858 1/20 0.41
ALPL P05186 1/20 0.40

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
SCHEMBL8970956 0.85 MEN1 (0.46) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8854355 0.82 ALDH1A1 (0.55) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1
SCHEMBL8972029 0.79 ALDH1A1 (0.47) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1
SCHEMBL8971748 0.77 TSHR (0.46) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1
SCHEMBL29625364 0.75 TSHR (0.72) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1
SCHEMBL8971864 0.74 HTT (0.43) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8971533 0.74 TSHR (0.64) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1
SCHEMBL8854362 0.74 MEN1 (0.44) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8971289 0.74 MEN1 (0.51) TSHRALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8971548 0.72 TSHR (0.41) TSHRALDH1A1SMN1; SMN2HSD11B1MEN1

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-5521260-A ALKENYLNADIMIDE, VINYL COMPOUND, PHENOLIC RESIN MARUZEN PETROCHEMICAL CO., LTD. (JP) 1996-05-28 US disclosed