SCHEMBL7945150

SCHEMBL7945150

O=C(CCCCCCCCC(=O)OCl)OCl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.42
TSHR P16473 5/20 0.41
LMNA P02545 5/20 0.40
NFKB1 P19838 1/20 0.40
PMP22 Q01453 1/20 0.40
PAM P19021 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
MAPK1 P28482 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
DNM1 Q05193 1/20 0.34

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
SCHEMBL687820 1.00 DGKA (0.42) DGKATSHRLMNANFKB1PMP22
SCHEMBL688762 1.00 DGKA (0.42) DGKATSHRLMNANFKB1PMP22
SCHEMBL2762078 1.00 DGKA (0.42) DGKATSHRLMNANFKB1PMP22
SCHEMBL515199 0.97 TSHR (0.43) DGKATSHRLMNANFKB1PMP22
SCHEMBL237795 0.90 TSHR (0.50) DGKATSHRLMNAPAMALDH1A1
SCHEMBL27269014 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL10343378 0.89 DGKA (0.37) DGKATSHRLMNANFKB1PMP22
SCHEMBL894849 0.89 TSHR (0.60) TSHRLMNANFKB1PMP22ALDH1A1
SCHEMBL7260301 0.87 DGKA (0.61) DGKATSHRLMNAPAMALDH1A1
SCHEMBL2189614 0.87 DGKA (0.61) DGKATSHRLMNAPAMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738198-A1 Enzymatic synthesis of polyamide in aqueous mini-emulsion Henkel AG & Co. KGaA (DE) 2014-06-04 EP disclosed
US-6271386-B1 COMPLEXABLE WITH ACTIVE AGROCHEMICAL, PHARMACEUTICAL OR COSMETIC AGENTS FOR CONTROLLED RELEASE THEREOF; LAUNDRY DETERGENT OR RINSING COMPOSITION. ISP INVESTMENTS INC. 2001-08-07 US disclosed
WO-2000035880-A1 QUATERNIZED WATER SOLUBLE VINYLPYRIDINE CARBOXYLATE POLYMERS ISP INVESTMENTS INC. (US) 2000-06-22 WO disclosed