SCHEMBL5814920

SCHEMBL5814920

CCCCCCCCC1N(C)C=CN1CCCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
TSHR P16473 2/20 0.31
THRB P10828 1/20 0.31
EPHX1 P07099 2/20 0.31
DNM1 Q05193 4/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL5286163 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5302443 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5287238 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5303332 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5299199 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5287426 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5288682 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5300997 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5300708 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1
SCHEMBL5285997 1.00 ALDH1A1 (0.32) ALDH1A1TSHRTHRBEPHX1DNM1

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-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed