SCHEMBL17367646

SCHEMBL17367646

CCCCC[N+](C)=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
TSHR P16473 5/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CES2 O00748 4/20 0.32
CES1 P23141 4/20 0.32
AKR1B1 P15121 1/20 0.31
SLC22A1 O15245 2/20 0.30
SLC22A2 O15244 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
SCHEMBL5932738 0.69
Hexane SCHEMBL28146838 0.67 TSHR (0.64) ALDH1A1TSHRTHRBSMN1; SMN2LMNA
SCHEMBL9486435 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL1900543 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL593010 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL5933161 0.67
SCHEMBL9486369 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL1042256 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL5606540 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10
SCHEMBL2698662 0.67 TSHR (0.53) ALDH1A1TSHRTHRBLMNAHSD17B10

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
US-20150380168-A1 THIN-LAYER CAPACITORS WITH LARGE SCALE INTEGRATION SIEMENS AKTIENGESELLSCHAFT (DE) 2015-12-31 US disclosed