SCHEMBL5889262

SCHEMBL5889262

CCCCOc1ccc(C(=O)O)c(N(C)C)c1CC

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.44
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
PTPN11 Q06124 4/20 0.43
S1PR3 Q99500 1/20 0.43
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
PPARG P37231 1/20 0.41
BLM P54132 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41

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
SCHEMBL12310835 0.78 S1PR3 (0.46) PTPN11S1PR3
SCHEMBL1618302 0.75 KDM4E (0.47) PTPN11S1PR3LMNACYP1A2MAPT
SCHEMBL9900697 0.75 RARB (0.41) THRATHRBPTPN11PPARGPPARA
SCHEMBL10597594 0.75 CNR2 (0.41) THRATHRBPTPN11PPARGPPARA
SCHEMBL7708520 0.74 KDM4C (0.52) CYP2C9
SCHEMBL9903584 0.73 PPARA (0.47) PPARGPPARA
SCHEMBL29634002 0.73 PPARA (0.47) PPARGPPARA
SCHEMBL12516907 0.73 CNR2 (0.49) PTPN11S1PR3PTPN1PTPN6
SCHEMBL10728968 0.72 PTPN11 (0.52) PTPN11S1PR3LMNAMAPTPTPN1
SCHEMBL9419355 0.72 RARA (0.49) PTPN11S1PR3PPARDPTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1241959-B1 Use of soak-off radiation curable nail coatings CREATIVE NAIL DESIGN INC (US) 2013-09-11 EP disclosed
US-7079920-B2 Plastic lens systems, compositions, and methods Q2100, INC. (US) 2006-07-18 US disclosed
US-6803394-B2 ACRYLATED POLYURETHANE; PROTECTIVE COATINGS GEL PRODUCTS, INC. 2004-10-12 US disclosed
US-20030073753-A1 Radiation curable nail coatings and artificial nail tips and methods of using same JEFFERIES FINANCE LLC, AS COLLATERAL AGENT 2003-04-17 US disclosed