SCHEMBL8733375

SCHEMBL8733375

CCCC(NCC(C)O)(Oc1cccc(Oc2ccc(O)c(O)c2)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 2/20 0.41
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
ALDH1A1 P00352 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
MTNR1B P49286 5/20 0.35
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35
ACACB O00763 4/20 0.35
ACACA Q13085 4/20 0.35
MTNR1A P48039 3/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 1/20 0.34
HDAC3 O15379 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL8733140 0.84 KDM4E (0.42) KDM4ELMNARAB9ATDP1ALDH1A1
SCHEMBL8728061 0.80 ADRB2 (0.49) RAB9AADRB2ADRB1
SCHEMBL8734022 0.72 CYP2D6 (0.52) ADRB2ADRB1
SCHEMBL8733133 0.66 ABCB1 (0.47) KDM4ELMNAADRB2ADRB1
SCHEMBL24238655 0.61 TRPA1 (0.55) KDM4ETDP1ALDH1A1SMN1; SMN2
SCHEMBL11645394 0.61 LTA4H (0.67)
SCHEMBL12806626 0.60 CETP (0.45)
SCHEMBL5513626 0.60 ALDH1A1 (0.38) LMNARAB9AALDH1A1SMN1; SMN2
Methoxymethane SCHEMBL11646837 0.60 LTA4H (0.59) KDM4ESMN1; SMN2
SCHEMBL15087749 0.60 HPGD (0.59) LMNARAB9AALDH1A1SMN1; SMN2HDAC3

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-5726165-A HYPOGLYCEMIC AGENTS; DIETETICS; GASTROINTESTINAL DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1998-03-10 US disclosed