SCHEMBL28664295

SCHEMBL28664295

C=C=CC(CCCC(=O)O)CCC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 3/20 0.38
TSHR P16473 2/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
BLM P54132 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ENPEP Q07075 2/20 0.37
GSTK1 Q9Y2Q3 2/20 0.37
LMNA P02545 3/20 0.37
SLC22A6 Q4U2R8 1/20 0.37
PMP22 Q01453 1/20 0.36
MAPT P10636 2/20 0.35
ABCC4 O15439 1/20 0.35
TET2 Q6N021 3/20 0.34
KDM4A O75164 2/20 0.34
KDM4C Q9H3R0 2/20 0.34

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
SCHEMBL27806009 0.86 KDM4C (0.34) ENPEPGSTK1LMNASLC22A6KDM4A
SCHEMBL28274858 0.84 FFAR4 (0.49) TSHRMEN1KMT2ASLC22A6
SCHEMBL28302777 0.82 FOLH1 (0.42) NFKB1TSHRCYP2D6SLC6A2SLC6A4
SCHEMBL28015527 0.81 FFAR4 (0.57) TSHRBLMMEN1CYP2C19KMT2A
SCHEMBL28826557 0.81 CYP2D6 (0.38) NFKB1TSHRCYP2D6SLC6A2SLC6A4
SCHEMBL28648697 0.80
SCHEMBL7705158 0.78 TSHR (0.52) NFKB1TSHRCYP2D6SLC6A2SLC6A4
SCHEMBL28259313 0.78 PLA2G10 (0.38) NFKB1TSHRENPEPGSTK1LMNA
SCHEMBL8535890 0.77 NFKB1 (0.47) NFKB1TSHRCYP2D6SLC6A2SLC6A4
SCHEMBL12498852 0.75 LMNA (0.43) NFKB1TSHRCYP2D6SLC6A2SLC6A4

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
CN-113563180-A (E) Preparation method of (E) -4-ene-1, 8-octanedioic acid 广东嘉博制药有限公司 2021-10-29 CN disclosed
CN-113563180-A (E) Preparation method of (E) -4-ene-1, 8-octanedioic acid 广东嘉博制药有限公司 2021-10-29 CN disclosed