SCHEMBL725878

SCHEMBL725878

CC(O)CNCc1ccc(CNCC(C)O)cc1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.72
CYP1A2 P05177 1/20 0.72
CYP2D6 P10635 1/20 0.72
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
KMT2A Q03164 1/20 0.43
ADRB2 P07550 1/20 0.42
ANPEP P15144 4/20 0.42
ERAP2 Q6P179 4/20 0.42
DNM1 Q05193 3/20 0.41
S1PR2 O95136 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
NPC1 O15118 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
SCHEMBL21382381 0.92 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6GAALMNA
SCHEMBL13057587 0.92 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6GAAKMT2A
SCHEMBL21382380 0.92 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP2D6GAALMNA
SCHEMBL1816937 0.90 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2D6GAALMNA
SCHEMBL1816934 0.90 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2D6GAALMNA
SCHEMBL11294244 0.90 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2D6GAAKMT2A
SCHEMBL5423672 0.90 CYP1A2 (0.62) ALDH1A1CYP1A2CYP2D6GAALMNA
SCHEMBL1849659 0.89 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6LMNAKMT2A
SCHEMBL4530301 0.89 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6LMNAKMT2A
SCHEMBL1325867 0.89 ALDH1A1 (0.77) ALDH1A1CYP1A2CYP2D6LMNAKMT2A

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372892-B2 Attached, high reactivity rigid polyurethane foams DOW GLOBAL TECHNOLOGIES LLC (US) 2013-02-12 US claimed
EP-1725600-B2 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-03 EP claimed
JP-4824670-B2 2011-11-30 JP claimed
EP-1725600-B1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES INC (US) 2008-09-03 EP claimed
US-20080038461-A1 Attached, High Reactivity Rigid Polyurethane Foams DOW GLOBAL TECHNOLOGIES LLC 2008-02-14 US claimed
JP-2007528434-A 2007-10-11 JP claimed
EP-1725600-A1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS The Dow Global Technologies Inc. (US) 2006-11-29 EP claimed
WO-2005090431-A1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES, INC. (US) 2005-09-29 WO claimed
EP-1924619-B1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS CONTAINING OXAZOLIDONE GROUPS DOW GLOBAL TECHNOLOGIES LLC (US) 2014-11-19 EP disclosed
US-8372892-B2 Attached, high reactivity rigid polyurethane foams DOW GLOBAL TECHNOLOGIES LLC (US) 2013-02-12 US disclosed
EP-1725600-B2 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES LLC (US) 2012-10-03 EP disclosed
US-7714030-B2 Attached, high reactivity rigid polyurethane foams containing oxazolidone groups DOW GLOBAL TECHNOLOGIES INC. (US) 2010-05-11 US disclosed
EP-1725600-B1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS DOW GLOBAL TECHNOLOGIES INC (US) 2008-09-03 EP disclosed
EP-1924619-A1 ATTACHED, HIGH REACTIVITY RIGID POLYURETHANE FOAMS CONTAINING OXAZOLIDONE GROUPS The Dow Global Technologies Inc. (US) 2008-05-28 EP disclosed
EP-0236895-A2 Process for preparing a cellular polyurethane BAYER AG (DE) 1987-09-16 EP disclosed
US-4677136-A MOLDING MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1987-06-30 US disclosed
EP-0204141-A2 USE OF UREA AND/OR BIURET GROUPS CONTAINING POLYISOCYANATES AS ISOCYANATE COMPONENT IN THE PREPARATION OF PLASTICS BY THE REACTION INJECTION MOLDING PROCESS BAYER AG (DE) 1986-12-10 EP disclosed
US-4500656-A CONTAINING LIQUID ADDUT OF AMINE AND CARBON DIOXIDE BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 US disclosed
EP-0121850-A2 Process for preparing a cellular polyurethane BAYER AG (DE) 1984-10-17 EP disclosed
US-4469856-A Non-crystalline polyamine/carbonic acid salt compositions, a process for their preparation and their use for the production of polyurethane ureas, especially foamed coatings BAYER AKTIENGESELLSCHAFT (DE) 1984-09-04 US disclosed