SCHEMBL6129559

SCHEMBL6129559

CCCCCCCCCCCCCCCC(=O)OCCC(CC)CCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.65
TSHR P16473 2/20 0.58
CYP3A4 P08684 1/20 0.58
ATM Q13315 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 4/20 0.54
DNM1 Q05193 1/20 0.54
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.51
PAM P19021 2/20 0.50
KDM4E B2RXH2 1/20 0.49
DUSP3 P51452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
PRSS1 P07477 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
PRKCA P17252 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46

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
SCHEMBL7711430 1.00 DGKA (0.65) DGKATSHRCYP3A4ATMTDP1
SCHEMBL1645952 0.97 DGKA (0.58) DGKATSHRCYP3A4ATMTDP1
SCHEMBL648927 0.95 TSHR (0.59) DGKATSHRCYP3A4ATMTDP1
SCHEMBL20774562 0.93 TSHR (0.68) DGKATSHRCYP3A4ATMTDP1
SCHEMBL19991202 0.91 DGKA (0.66) DGKATSHRCYP3A4ATMTDP1
SCHEMBL6152835 0.90 DGKA (0.51) DGKATSHRCYP3A4ATMTDP1
SCHEMBL20774495 0.90 DGKA (0.65) DGKATSHRCYP3A4ATMTDP1
SCHEMBL38661027 0.88 DGKA (0.57) DGKATSHRCYP3A4ATMTDP1
SCHEMBL10001373 0.87 CYP3A4 (0.51) DGKATSHRCYP3A4ATMTDP1
SCHEMBL19553630 0.87 DGKA (0.65) DGKATSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1154783-A4 MEDICAMENTS COMPRISING RELAXIN AND THEIR USE LURIE RAZIEL (IL) 2005-01-19 EP disclosed
EP-1154783-A1 MEDICAMENTS COMPRISING RELAXIN AND THEIR USE Lurie, Raziel (IL) 2001-11-21 EP disclosed
WO-2001001997-A1 MEDICAMENTS COMPRISING RELAXIN AND THEIR USE LURIE RAZIEL (IL) 2001-01-11 WO disclosed