SCHEMBL17367607

SCHEMBL17367607

C=CCN(CC=C)C(=O)C1CCC(C(=O)N(CC=C)CC=C)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
SLC6A2 P23975 4/20 0.34
SLC6A4 P31645 4/20 0.34
DPP4 P27487 3/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL12512761 0.87 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1THRATHRB
SCHEMBL18868151 0.87 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1THRATHRB
SCHEMBL13893220 0.86 ALDH1A1 (0.46) ALDH1A1KMT2ASMN1; SMN2SLC6A2SLC6A4
SCHEMBL11327803 0.85 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1THRATHRB
SCHEMBL18231941 0.82 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1DPP4
SCHEMBL13795191 0.81 PPARA (0.35) ALDH1A1KMT2AMEN1SLC6A2SLC6A4
SCHEMBL12511975 0.81 SLC6A2 (0.37) ALDH1A1KMT2ATHRATHRBSLC6A2
SCHEMBL12512048 0.81 PPARA (0.35) ALDH1A1KMT2AMEN1SLC6A2SLC6A4
SCHEMBL13795728 0.78 TRPA1 (0.50) ALDH1A1KMT2AMEN1POLB
SCHEMBL13795976 0.78 TRPA1 (0.50) ALDH1A1KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376453-A1 ORGANIC POLYSILOXANE COMPOSITION, ENCAPSULANT, AND ELECTRONIC DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-12-31 US disclosed
US-20150376453-A1 ORGANIC POLYSILOXANE COMPOSITION, ENCAPSULANT, AND ELECTRONIC DEVICE SAMSUNG SDI CO., LTD. (KR) 2015-12-31 US disclosed