SCHEMBL8830873

SCHEMBL8830873

CC(C)OC(=O)C1(Cc2ccc(C(C)(C)C)cc2)CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.36
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
EPHX1 P07099 1/20 0.34
PTPN1 P18031 1/20 0.34
NR3C1 P04150 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.32
NAAA Q02083 1/20 0.32
ACACB O00763 1/20 0.32

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
SCHEMBL8830857 0.86 ABHD10 (0.34) MEN1KMT2ANPC1MAPTSMN1; SMN2
SCHEMBL8830792 0.86 TACR1 (0.43) NR1H4MEN1KMT2ANPC1MAPT
SCHEMBL8830841 0.85 POLB (0.38) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL8830927 0.82 CYP3A4 (0.35) MEN1KMT2AEPHX1TP53TSHR
SCHEMBL8830767 0.79 NR1H4 (0.35) NR1H4MEN1KMT2AEPHX1NR3C1
SCHEMBL28013474 0.74 PTGS1 (0.44) KMT2ATSHRLMNA
SCHEMBL9253910 0.73 TACR3 (0.40) MEN1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL16174099 0.72 CYP2C19 (0.43) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL8830812 0.72 TACR1 (0.45) NPC1MAPTSMN1; SMN2TSHR
SCHEMBL28012785 0.71 TACR1 (0.41) MEN1KMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5681979-A Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1997-10-28 US disclosed
EP-0731083-A1 Process for the producing of alkylcyclopentanone derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-09-11 EP disclosed