SCHEMBL2611081

SCHEMBL2611081

NNC(=O)CCCCCOCCOCCOCCNC(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.52
▸ ALDH1A1 P00352 8/20 0.42
▸ USP2 O75604 5/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 4/20 0.42
▸ CASP1 P29466 3/20 0.42
▸ CASP7 P55210 3/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ BRCA1 P38398 2/20 0.42
▸ HBB P68871 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.40

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
SCHEMBL13056418 0.94 SLC16A3 (0.56) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL18729881 0.87 SLC16A3 (0.59) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL1754978 0.86 SLC16A3 (0.61) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL17689684 0.85 SLC16A3 (0.57) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL1754967 0.82 SLC16A3 (0.53) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238299 0.81 SLC16A3 (0.64) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL13238296 0.81 SLC16A3 (0.58) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL23871899 0.80 SLC16A3 (0.56) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL2956918 0.80 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A
SCHEMBL23872036 0.79 SLC16A3 (0.67) SLC16A3ALDH1A1USP2MEN1KMT2A

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-2444807-A2 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE Ventana Medical Systems, Inc. (US) 2012-04-25 — — EP disclosed
EP-2444806-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-25 — — EP disclosed
EP-2442107-A2 Haptens, hapten conjugates, compositions thereof and method for their preparation and use Ventana Medical Systems, Inc. (US) 2012-04-18 — — EP disclosed
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