SCHEMBL8465137

SCHEMBL8465137

CC=CCCCCC(=O)OCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.67
CYP3A4 P08684 1/20 0.67
ALOX15 P16050 1/20 0.67
TSHR P16473 1/20 0.67
HSD17B10 Q99714 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NR1I2 O75469 1/20 0.61
PGR P06401 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
PTGS2 P35354 1/20 0.61
PDE4D Q08499 1/20 0.61
CYP1A2 P05177 1/20 0.53
FAAH O00519 2/20 0.50
DGKA P23743 2/20 0.47
GAA P10253 1/20 0.47
MGLL Q99685 1/20 0.46
PRKCE Q02156 1/20 0.45
PRKCQ Q04759 1/20 0.45
PRKCD Q05655 1/20 0.45
PRKCA P17252 1/20 0.45

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
SCHEMBL8465135 1.00 ALDH1A1 (0.67) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15758514 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15758513 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15391863 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15757754 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15757752 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL15391864 0.98 ALDH1A1 (0.70) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10902814 0.94 NR1I2 (0.68) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL1228244 0.94 NR1I2 (0.68) ALDH1A1CYP3A4ALOX15TSHRHSD17B10
SCHEMBL10904416 0.94 NR1I2 (0.68) ALDH1A1CYP3A4ALOX15TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5964919-A STABILIZING THE ACTIVE ZINC BY SUSPENDING IN A CONTAINER WITH AN SOLVENT SELECT FROM ETHER, HYDROCARBON, AROMATIC HYDROCARABON OR APROTIC SOLVENT UNDER INERT GAS, SEALING THE CONTAINER BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1999-10-12 US disclosed
US-5756653-A REACTING A REDUCING AGENT ON A ZINC SALT BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1998-05-26 US disclosed
US-5358546-A Reacting a zinc compound with a reducting agent BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1994-10-25 US disclosed
WO-1993015086-A1 HIGHLY REACTIVE FORMS OF ZINC AND REAGENTS THEREOF BOARD OF REGENTS OF THE UNIVERSITY OF NEBRASKA (US) 1993-08-05 WO disclosed