SCHEMBL4787076

SCHEMBL4787076

CC(C)(C)c1ccccc1C(=O)O.[BaH2]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
ALOX15 P16050 3/20 0.54
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
CA1 P00915 3/20 0.46
CA4 P22748 3/20 0.46
CA7 P43166 3/20 0.46
CA9 Q16790 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HMGB1 P09429 2/20 0.46
HPGD P15428 2/20 0.46
NAPRT Q6XQN6 2/20 0.46
CA6 P23280 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MAPT P10636 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL31028133 0.98 ALDH1A1 (0.56) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL39249 0.98 ALDH1A1 (0.56) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL22060 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL10955296 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL10903808 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL8616914 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL10960705 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
SCHEMBL4737094 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
Water SCHEMBL2542359 0.96 ALDH1A1 (0.54) ALDH1A1ALOX15CA2CA12CA1
Ethylene SCHEMBL28047474 0.94 ALDH1A1 (0.52) ALDH1A1ALOX15CA2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080237555-A1 Scorch prevention in flexible polyurethane foams BROMINE COMPOUNDS LTD. (IL) 2008-10-02 US disclosed
WO-2008075344-A2 SCORCH PREVENTION IN FLEXIBLE POLYURETHANE FOAMS BROMINE COMPOUNDS LTD. (IL) 2008-06-26 WO disclosed
US-20080048157-A1 Scorch prevention in flexible polyurethane foams BROMINE COMPOUNDS LTD. (IL) 2008-02-28 US disclosed
US-20070158625-A1 Scorch prevention in flexible polyurethane foams BROMINE COMPOUNDS LTD. (IL) 2007-07-12 US disclosed
US-5283273-A With sterically hindered amine; zinc, calcium, magnesium and/or barium compound; a 1,3-dicarbonyl compound: no organotin or hydrotalcite compounds and no blowing or foaming agents CIBA-GEIGY CORPORATION (US) 1994-02-01 US disclosed