SCHEMBL8082239

SCHEMBL8082239

C=CCCCC(CC)(C(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.42
MAPT P10636 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 3/20 0.41
LMNA P02545 1/20 0.37
ACLY P53396 1/20 0.34
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
THRB P10828 1/20 0.31
KMT2A Q03164 1/20 0.31
ARG1 P05089 1/20 0.31
ARG2 P78540 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
SCHEMBL4013371 0.87 MAPT (0.48) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL11087650 0.84 ALDH1A1 (0.43) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL4017942 0.83 MAPT (0.50) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL16421159 0.81 TSHR (0.57) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL27039983 0.81 MAPT (0.54) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL14567209 0.79 ABCC4 (0.47) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL22367638 0.79 ABCC4 (0.42) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL1036461 0.78 AKR1B1 (0.39) ALDH1A1TSHRMEN1KMT2A
SCHEMBL9655594 0.78 ABCC4 (0.41) ABCC4MAPTALDH1A1TSHRLMNA
SCHEMBL17954034 0.77 ACLY (0.46) ABCC4MAPTALDH1A1TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944659-B1 METHOD FOR PRODUCING LINEAR BLOCK COPOLYMERS BASF AG (DE) 2000-10-18 EP disclosed
EP-0944659-A1 METHOD FOR PRODUCING LINEAR BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1999-09-29 EP disclosed
EP-0693089-B1 ORGANOSILICON-CONTAINING MATERIALS USEFUL FOR BIOMEDICAL DEVICES BAUSCH & LOMB (US) 1998-07-29 EP disclosed
WO-1998027127-A1 METHOD FOR PRODUCING LINEAR BLOCK COPOLYMERS BASF AKTIENGESELLSCHAFT (DE) 1998-06-25 WO disclosed
US-5616757-A CONTACT LENSES BAUSCH & LOMB INCORPORATED (US) 1997-04-01 US disclosed
US-5510442-A SOFT CONTACT LENSES; OXYGEN PERMEABILITY BAUSCH & LOMB INCORPORATED (US) 1996-04-23 US disclosed
EP-0693089-A1 ORGANOSILICON-CONTAINING MATERIALS USEFUL FOR BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 1996-01-24 EP disclosed
WO-1994024187-A2 ORGANOSILICON-CONTAINING MATERIALS USEFUL FOR BIOMEDICAL DEVICES BAUSCH & LOMB INCORPORATED (US) 1994-10-27 WO disclosed
US-4804756-A Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1989-02-14 US disclosed
US-4751304-A Process for preparing 5,6-dialkoxy-4-alkyl-2(1H)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1988-06-14 US disclosed
EP-0177256-A2 Process for preparing 5,6-dialkoxy-4-alkyl-2(1h)-quinazolinones ORTHO PHARMACEUTICAL CORPORATION (US) 1986-04-09 EP disclosed