SCHEMBL7048734

SCHEMBL7048734

CCc1ccc(CN(O)Cc2ccc(CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.46
LIPG Q9Y5X9 1/20 0.46
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PLAU P00749 1/20 0.41
HRH3 Q9Y5N1 2/20 0.41
CYP2A6 P11509 1/20 0.41
TRPA1 O75762 1/20 0.41
IDO1 P14902 2/20 0.40
PLK1 P53350 1/20 0.40
EGFR P00533 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL7048042 0.91 TP53 (0.61) ALDH1A1TP53
SCHEMBL3189076 0.79 LPL (0.46) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL4967718 0.79 CYP2C19 (0.50) ALDH1A1TAAR1CYP2A6IDO1
Propane SCHEMBL9330390 0.77 TSHR (0.54) ALDH1A1TP53CA2
SCHEMBL8575930 0.77 GRIN2D (0.46) TP53CYP2A6TRPA1
Methyl Alcohol SCHEMBL27728601 0.76 LPL (0.60) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL36295 0.76 TP53 (0.67) LPLLIPGALDH1A1TP53SMN1; SMN2
SCHEMBL10979593 0.76 ESR1 (0.54) ALDH1A1TAAR1IDO1CA2
SCHEMBL10050868 0.76 HRH3 (0.67) LPLLIPGALDH1A1TP53TAAR1
SCHEMBL8781904 0.76 TSHR (0.46) HRH3CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP claimed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP claimed
EP-0941866-B1 Thermally imageable element having improved room light stability DU PONT (US) 2003-04-16 EP disclosed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US disclosed
EP-0941866-A1 Non-photosensitive, thermally imageable element having improved room light stability E. I. du Pont de Nemours and Company (US) 1999-09-15 EP disclosed
WO-1998002403-A1 METHOD FOR INHIBITING VINYL AROMATIC MONOMER POLYMERIZATION IN CONDENSER AND COMPRESSION SYSTEMS BETZDEARBORN INC. (US) 1998-01-22 WO disclosed
US-5396004-A Diamine, hydroxylamine BETZ LABORATORIES, INC. (US) 1995-03-07 US disclosed
EP-0594341-A1 Compositions and methods for inhibiting vinyl aromatic monomer polymerization BETZ EUROPE, INC. (US) 1994-04-27 EP disclosed
US-4840720-A ADDING PHOSPHITE AND HYDROXYLAMINE INHIBITORS BETZ LABORATORIES, INC. (US) 1989-06-20 US disclosed