SCHEMBL4013920

SCHEMBL4013920

C=CC(=O)OCCNS(=O)(=O)C(F)(CCCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 1/20 0.34
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.33
TP53 P04637 2/20 0.31
HIF1A Q16665 2/20 0.31
HSD17B10 Q99714 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL28384325 0.80 CA1 (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL325041 0.79 CA1 (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL10151017 0.78 CA1 (0.41) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4577815 0.77 CA1 (0.32) TSHRHPGD
Acrylic Acid Ethyl Ester SCHEMBL29418175 0.77 CA1 (0.40) TSHRHPGDEPHX1
SCHEMBL10212539 0.75 TSHR (0.42) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL775846 0.74 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
Acrylic Acid Ethyl Ester SCHEMBL190577 0.74 CA1 (0.42) TSHRHPGDTHRBEPHX1
SCHEMBL3968321 0.73 TSHR (0.35) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL7762927 0.70 TSHR (0.52) TSHRHPGDALDH1A1CYP3A4THRB

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
EP-0914079-B2 HAIR SHAMPOO COMPRISING SILICONE COMPOUNDS OREAL (FR) 2009-07-01 EP claimed
US-6503494-B1 Cosmetic or dermatological composition for treating hair; improved feel such as softness and smoothness L'OREAL S.A. (FR) 2003-01-07 US claimed
US-6440404-B1 AEROSOL FOR FIXING, STYLING, CONDITIONING HAIR; POLYSILOXANE AND NONSILICONE ORGANIC, SUCH AS AN ACRYLATE POLYMER; IMPROVED SHEEN AND LACQUERING POWER; SURFACTANT FREE L'OREAL S.A. (FR) 2002-08-27 US claimed
EP-0854703-B1 COMPOSITION FOR TREATING KERATINOUS MATERIAL, INCLUDING AT LEAST ONE SILICONE-GRAFTED POLYMER AND AT LEAST ONE THICKENING POLYMER OR COPOLYMER OF (METH)ACRYLAMIDE OR A (METH)ACRYLAMIDE DERIVATIVE, AND USES THEREOF OREAL (FR) 2002-01-02 EP claimed
EP-0914079-B1 HAIR SHAMPOO COMPRISING SILICONE COMPOUNDS OREAL (FR) 2001-11-14 EP claimed