SCHEMBL4081172

SCHEMBL4081172

CCCC(CCC)COc1cccc(ON(CCC)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 2/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL2205657 0.85 HIF1A (0.37) HIF1ACYSLTR2CYSLTR1HTR1DHTR1B
SCHEMBL19693446 0.76 TP53 (0.43) TSHRLMNASMN1; SMN2
SCHEMBL10113414 0.76 KMT2A (0.66) KMT2A
SCHEMBL3970375 0.76 FFAR4 (0.45) ALDH1A1KDM4E
SCHEMBL3972838 0.75 SLC2A1 (0.46) ALDH1A1KDM4E
SCHEMBL4568773 0.73 KMT2A (0.49) HIF1ACYSLTR2CYSLTR1KMT2AALDH1A1
SCHEMBL18539785 0.73 HIF1A (0.47) HIF1AKMT2ATSHRKDM4EMTNR1A
SCHEMBL17138148 0.73 HIF1A (0.47) HIF1ATSHRKDM4EMTNR1AMTNR1B
SCHEMBL28465737 0.72 CHRNB2 (0.49) HIF1A
SCHEMBL4081168 0.72 MTNR1A (0.53) HTR1DHTR1BALDH1A1KDM4EMTNR1A

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-2009045479-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. (US) 2009-04-09 WO disclosed