SCHEMBL5810093

SCHEMBL5810093

CC[CH]CCCCCCC(CC)CCCCCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
OPRM1 P35372 1/20 0.38
CA2 P00918 2/20 0.37
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 1/20 0.34
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 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
SCHEMBL9214132 0.96 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL9213515 0.92 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL27769610 0.88 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL28997916 0.87 ALDH1A1 (0.36) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL27491617 0.84 LMNA (0.42) LMNATSHRADH1BADH1CADH1A
SCHEMBL23673217 0.83 ALDH1A1 (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL10337324 0.83 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL28834557 0.83 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL8920401 0.83 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4
SCHEMBL28100170 0.83 LMNA (0.45) LMNAALDH1A1TDP1TSHRCYP3A4

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
WO-2006076015-A2 1-[2-(PHOSPHONOMETHOXY)ETHYL]-CYTOSINE AND ANALOGS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-07-20 WO disclosed