SCHEMBL9868816

SCHEMBL9868816

C/C1=C\CCC(O)C(=O)/C=C\CC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS2R46 P59540 6/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TERT O14746 1/20 0.33
PKM P14618 1/20 0.33
MET P08581 1/20 0.32
TAS2R31 P59538 2/20 0.32
TAS2R10 Q9NYW0 2/20 0.32
CNR2 P34972 1/20 0.31
PPARA Q07869 1/20 0.31
GLI1 P08151 1/20 0.31
CYP3A4 P08684 1/20 0.31
GLI2 P10070 1/20 0.31
STAT3 P40763 1/20 0.30

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
SCHEMBL9868825 1.00 TAS2R46 (0.34) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL1986587 0.79
SCHEMBL15957908 0.70 ALDH1A1 (0.48) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL9625767 0.67 ALDH1A1 (0.61) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL9625769 0.67 ALDH1A1 (0.61) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL9625765 0.67 ALDH1A1 (0.61) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL10542475 0.67 MEN1 (0.45) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL29677977 0.66 CA1 (0.59) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL3677651 0.65 LMNA (0.41) TAS2R46MEN1KMT2ARECQLTDP1
SCHEMBL3677652 0.65 LMNA (0.41) TAS2R46MEN1KMT2ARECQLTDP1

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
JP-3130291-A None JP disclosed
JP-H03130291-A PERIPLANONE B ANALOGUE, ITS PREPARATION AND INTERMEDIATE THEREOF, AND COCKROACH-ATTRACTING AGENT JAPAN TOBACCO INC 1991-06-04 JP disclosed