SCHEMBL13625477

SCHEMBL13625477

O=CCCCNCCC=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.53
TSHR P16473 4/20 0.43
FAAH O00519 2/20 0.35
TRPV1 Q8NER1 2/20 0.35
CA5A P35218 4/20 0.33
CA5B Q9Y2D0 4/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA4 P22748 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA3 P07451 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ADH1B P00325 2/20 0.32
ADH1C P00326 2/20 0.32
ADH1A P07327 2/20 0.32
ADH7 P40394 2/20 0.32
CASP2 P42575 2/20 0.32

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
SCHEMBL20734558 0.94 HIF1A (0.60) HIF1ATSHRFAAHTRPV1CA5A
SCHEMBL29349589 0.90 HIF1A (0.47) HIF1ATSHRCA5ACA5BCA12
SCHEMBL8312541 0.87
SCHEMBL15028890 0.83 HIF1A (0.44) HIF1ATSHRCA5ACA5BCA12
SCHEMBL4579266 0.80
SCHEMBL9721210 0.80 CA12 (0.60) HIF1ATSHRCA5ACA5BCA12
SCHEMBL3030508 0.80 TSHR (0.65) HIF1ATSHRFAAHTRPV1CA2
SCHEMBL13625453 0.80 HIF1A (0.45) HIF1ATSHRFAAHTRPV1CA5A
SCHEMBL2386780 0.80
SCHEMBL7674486 0.80

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-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed