SCHEMBL8970977

SCHEMBL8970977

C=CCC(C1CCC(O)CC1)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 4/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 2/20 0.35
RECQL P46063 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
SCHEMBL8971127 0.87 TSHR (0.42) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8970956 0.76 MEN1 (0.46) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8854362 0.74 MEN1 (0.44) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8971289 0.74 MEN1 (0.51) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8971905 0.72 KMT2A (0.47) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8971748 0.72 TSHR (0.46) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8971864 0.69 HTT (0.43) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8970926 0.69 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL8972029 0.68 ALDH1A1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL8971548 0.68 TSHR (0.41) MEN1KMT2AALDH1A1TDP1SMN1; SMN2

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