SCHEMBL7778440

SCHEMBL7778440

CC(CCO)CCOCCCCCCBr

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ USP2 O75604 1/20 0.31

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
SCHEMBL8208730 0.83 HTT (0.59) MEN1THRBHTTKMT2AMAPT
SCHEMBL21566855 0.80 HTT (0.46) MEN1THRBHTTKMT2AMAPT
SCHEMBL2525583 0.79 LMNA (0.48) MEN1KMT2AALOX15
SCHEMBL8208732 0.79 HTT (0.63) MEN1THRBHTTKMT2AMAPT
SCHEMBL11734794 0.78 ALDH1A1 (0.33) MEN1THRBHTTKMT2AMAPT
SCHEMBL11732736 0.78 ALDH1A1 (0.33) MEN1THRBHTTKMT2AMAPT
SCHEMBL7776592 0.78 TSHR (0.42) MEN1THRBHTTKMT2AMAPT
SCHEMBL5930516 0.78 TSHR (0.50) MEN1THRBHTTKMT2AMAPT
SCHEMBL27482735 0.76 MEN1 (0.48) MEN1THRBHTTKMT2AMAPT
SCHEMBL11584374 0.76 ALDH1A1 (0.34) MAPTALDH1A1

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-0884315-B1 Dioxacycloalkan-8-ones GIVAUDAN SA (CH) 2001-09-19 — — EP disclosed
US-5948812-A ORDORANTS GIVAUDAN ROURE (INTERNATIONAL) SA (CH) 1999-09-07 — — US disclosed
EP-0884315-A1 Dioxacycloalkan-8-ones GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-16 — — EP disclosed
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