SCHEMBL13625453

SCHEMBL13625453

O=CCCCNCCCO

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.45
TSHR P16473 2/20 0.38
CA3 P07451 1/20 0.32
CA5A P35218 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
FAAH O00519 2/20 0.31
TRPV1 Q8NER1 1/20 0.31
CA12 O43570 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL4579266 0.90
SCHEMBL20734558 0.86 HIF1A (0.60) HIF1ATSHRCA3CA5ACA5B
SCHEMBL13625477 0.80 HIF1A (0.53) HIF1ATSHRCA3CA5ACA5B
SCHEMBL26741099 0.80 TSHR (0.42) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL28059543 0.80 HIF1A (0.60) HIF1ATSHRFAAHTRPV1ALDH1A1
SCHEMBL58606 0.80
SCHEMBL48646 0.80
SCHEMBL16859762 0.77
SCHEMBL2677189 0.77
SCHEMBL196890 0.77

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
WO-2013142298-A1 STABLE PEPTIDE MIMETICS OF THE HIV-1 GP41 PRE-HAIRPIN INTERMEDIATE MERCK SHARP & DOHME CORP. (US) 2013-09-26 WO disclosed
WO-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed