SCHEMBL7846832

SCHEMBL7846832

CC(C)CC(O)CC(C)CCCO

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
DUSP3 P51452 1/20 0.31
TRPA1 O75762 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALOX15 P16050 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
SCHEMBL15531528 0.93 LMNA (0.37) LMNAPTPN2PTPN1DUSP3
SCHEMBL13667174 0.85 LMNA (0.39) LMNAPTPN1TRPA1ALDH1A1ALOX15
SCHEMBL1052619 0.85 LMNA (0.39) LMNAPTPN1TRPA1ALDH1A1ALOX15
SCHEMBL9832664 0.83 USP2 (0.33) PTPN1ALDH1A1
SCHEMBL5907087 0.83 USP2 (0.33) PTPN1ALDH1A1
SCHEMBL11429360 0.81 LMNA (0.36) LMNAPTPN1TRPA1ALDH1A1ALOX15
1,6-Hexanediol SCHEMBL8319566 0.80 TSHR (0.41) LMNAALDH1A1
SCHEMBL7776801 0.80 LMNA (0.48) LMNAPTPN2PTPN1DUSP3TRPA1
SCHEMBL1657981 0.78 LMNA (0.43) LMNAPTPN1TRPA1ALDH1A1ALOX15
SCHEMBL7847549 0.78 TDP1 (0.38) LMNATRPA1ALDH1A1

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-20010034966-A1 Method of reducing the vapor pressure of ethanol-containing motor fuels for spark ignition combustion engines GOLUBKOV ANGELICA (SE) 2001-11-01 US disclosed