SCHEMBL8972074

SCHEMBL8972074

C=CC(CC(C)(C)CO)N1C(=O)C2C3C=CC(C3)C2C1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.40
HTT P42858 3/20 0.40
TSHR P16473 2/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
RAB9A P51151 2/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
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
SCHEMBL8971865 0.82 MEN1 (0.42) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8971870 0.80 TSHR (0.48) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8854362 0.76 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8972385 0.76 HTT (0.44) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8971307 0.73 TSHR (0.42) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8971396 0.72 TSHR (0.41) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8971337 0.72 ALDH1A1 (0.46) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8854355 0.71 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8970959 0.71 KMT2A (0.51) MEN1KMT2ASMN1; SMN2HTTTSHR
SCHEMBL8971581 0.70 MEN1 (0.44) MEN1KMT2ASMN1; SMN2HTTTSHR

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