SCHEMBL6556056

SCHEMBL6556056

CC(CCCN)=C(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 4/20 0.44
CYP1A2 P05177 3/20 0.44
LMNA P02545 3/20 0.44
BLM P54132 3/20 0.44
THRB P10828 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GABBR2 O75899 2/20 0.44
TSHR P16473 2/20 0.44
GABBR1 Q9UBS5 2/20 0.44
GABRR3 A8MPY1 1/20 0.44
GABRP O00591 1/20 0.44
GABRD O14764 1/20 0.44
HDAC3 O15379 1/20 0.44
GABRA1 P14867 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRR1 P24046 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRR2 P28476 1/20 0.44

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
Hydrochloric Acid SCHEMBL30685507 0.91 PAOX (0.52) PAOXCYP1A2LMNABLMTHRB
Hydrochloric Acid SCHEMBL30177594 0.91 PAOX (0.52) PAOXCYP1A2LMNABLMTHRB
SCHEMBL28577940 0.83 SOAT1 (0.34) PAOXCYP1A2LMNABLMKMT2A
SCHEMBL28779585 0.81 CES1 (0.46) CYP1A2THRBKMT2ATSHRHDAC11
SCHEMBL29161903 0.77 CES2 (0.50) CYP1A2THRBKMT2ATSHRHDAC11
SCHEMBL29116602 0.77 CES2 (0.50) CYP1A2THRBKMT2ATSHRHDAC11
SCHEMBL20531039 0.77 CES2 (0.50) CYP1A2THRBKMT2ATSHRHDAC11
SCHEMBL14737254 0.77
Ethylamine SCHEMBL28929691 0.77 CES2 (0.45) CYP1A2THRBKMT2ATSHRHDAC11
SCHEMBL1934407 0.76 PAOX (0.45) PAOXCYP1A2LMNABLMTHRB

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-1487882-A1 BASE POLYMER OBTAINED BY HYDROGENATION Stockhausen GmbH (DE) 2004-12-22 EP disclosed
WO-2003080682-A1 BASE POLYMER OBTAINED BY HYDROGENATION STOCKHAUSEN GMBH (DE) 2003-10-02 WO disclosed
EP-1169379-A1 COLOR-STABLE SUPERABSORBENT POLYMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2002-01-09 EP disclosed
WO-2000055245-A1 COLOR-STABLE SUPERABSORBENT POLYMER COMPOSITION BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 WO disclosed
EP-0223325-A1 Improved process for removal of H2S from geothermal steam THE DOW CHEMICAL COMPANY (US) 1987-05-27 EP disclosed