SCHEMBL9812911

SCHEMBL9812911

CC(=O)N(CCO)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 1/20 0.36
ADH1A P07327 1/20 0.36
PYGL P06737 3/20 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
SCHEMBL14813235 0.90 PIK3CD (0.43) PIK3CDPYGL
SCHEMBL4281691 0.84 ADH1A (0.48) PIK3CDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL4248602 0.82 PIK3CD (0.39) PIK3CDALDH1A1KDM4EHSD17B10L3MBTL1
SCHEMBL15283941 0.82 L3MBTL1 (0.34) L3MBTL1MEN1KMT2ANPC1LMNA
SCHEMBL9462350 0.82 ADH1A (0.47) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL1062922 0.82 AGER (0.39) L3MBTL1PYGL
SCHEMBL628951 0.81 L3MBTL1 (0.42) PIK3CDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL13612711 0.81 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10L3MBTL1MEN1
SCHEMBL13453748 0.80 KDM4E (0.44) KDM4E
SCHEMBL2497168 0.80 ALOX5 (0.41) L3MBTL1MEN1KMT2APYGL

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0299328-B1 REACTIVE DYES BAYER AG (DE) 1991-07-10 EP disclosed
EP-0271656-B1 REACTIVE AMINO ALKOXY-TRIPHENE DIOXAZINE DYES BAYER AG (DE) 1990-08-01 EP disclosed
US-4874857-A FIBER-REACTIVE DYES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-17 US disclosed
EP-0299328-A2 Reactive dyes BAYER AG (DE) 1989-01-18 EP disclosed
EP-0271656-A1 Reactive amino alkoxy-triphene dioxazine dyes BAYER AG (DE) 1988-06-22 EP disclosed