SCHEMBL4458438

SCHEMBL4458438

CCCCCCCCc1ccc(N(C)c2ccc(CCCCCCCC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.59
ADRA2A P08913 2/20 0.59
ADORA3 P0DMS8 2/20 0.59
TACR2 P21452 2/20 0.59
SLC6A2 P23975 2/20 0.59
SLC6A4 P31645 2/20 0.59
SLC6A3 Q01959 2/20 0.59
CYP3A4 P08684 2/20 0.59
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
SHBG P04278 1/20 0.59
TP53 P04637 1/20 0.59
HSPD1 P10809 1/20 0.59
ADRB3 P13945 1/20 0.59
HTR2C P28335 1/20 0.59
HSPE1 P61604 1/20 0.59
HIF1A Q16665 1/20 0.59
TST Q16762 1/20 0.59
HSD17B10 Q99714 1/20 0.59

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
SCHEMBL28237452 1.00 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL9549252 1.00 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL25916996 0.91 CA2 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10031926 0.89 KDM4A (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12588009 0.89 LPL (0.49) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10031930 0.89 KDM4A (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12619459 0.88 HSD17B10 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL12379553 0.88 HSD17B10 (0.51) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL23037542 0.88 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL1451841 0.88 ESR1 (0.59) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3334808-A1 IMPROVED ANTIOXIDANT COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME Vanderbilt Chemicals, LLC (US) 2018-06-20 EP disclosed
EP-3334811-A1 NOVEL ALKYLATED DIPHENYLAMINE DERIVATIVES OF TRIAZOLE AND LUBRICATING COMPOSITIONS CONTAINING THE SAME Vanderbilt Chemicals, LLC (US) 2018-06-20 EP disclosed
WO-2017030784-A1 IMPROVED ANTIOXIDANT COMPOSITIONS AND LUBRICATING COMPOSITIONS CONTAINING THE SAME VANDERBILT CHEMICALS, LLC (US) 2017-02-23 WO disclosed
WO-2017030783-A1 NOVEL ALKYLATED DIPHENYLAMINE DERIVATIVES OF TRIAZOLE AND LUBRICATING COMPOSITIONS CONTAINING THE SAME VANDERBILT CHEMICALS, LLC (US) 2017-02-23 WO disclosed
EP-2776543-A2 LUBRICANT COMPOSITION Vanderbilt Chemicals, LLC (US) 2014-09-17 EP disclosed
WO-2013070376-A2 LUBRICANT COMPOSITION VANDERBILT CHEMICALS, LLC (US) 2013-05-16 WO disclosed
EP-2121880-A2 VEGETABLE OIL LUBRICATING COMPOSITION R.T. Vanderbilt Company, Inc. (US) 2009-11-25 EP disclosed
WO-2008067430-A2 VEGETABLE OIL LUBRICATING COMPOSITION R.T. VANDERBILT COMPANY, INC. (US) 2008-06-05 WO disclosed