SCHEMBL6441780

SCHEMBL6441780

C=CC(=O)OC(CCCC)CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
HPGD P15428 1/20 0.44
CYP1A2 P05177 3/20 0.41
MAPK1 P28482 4/20 0.40
GMNN O75496 3/20 0.40
LMNA P02545 3/20 0.40
MAPT P10636 3/20 0.40
NPSR1 Q6W5P4 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 2/20 0.40
BLM P54132 2/20 0.40
KMT2A Q03164 2/20 0.40
NR1H4 Q96RI1 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
GPR84 Q9NQS5 4/20 0.40
GLA P06280 1/20 0.39
PMP22 Q01453 1/20 0.39
ACHE P22303 1/20 0.36

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
SCHEMBL15820927 0.95 GPR84 (0.46) TSHRHPGDCYP1A2MAPK1GMNN
SCHEMBL10913590 0.94 GPR84 (0.49) TSHRHPGDCYP1A2MAPK1GMNN
SCHEMBL27700851 0.88 TSHR (0.54) TSHRHPGDMAPK1ACHEBACE1
SCHEMBL2129127 0.84 TSHR (0.51) TSHRHPGDMAPK1ACHEBACE1
SCHEMBL1398238 0.84 TSHR (0.56) TSHRHPGDMAPK1ACHEBACE1
SCHEMBL7864075 0.84 TSHR (0.51) TSHRHPGDMAPK1MAPTGPR84
SCHEMBL31456184 0.83 TSHR (0.50) TSHRHPGDMAPK1MAPTGPR84
SCHEMBL7537024 0.83 TSHR (0.50) TSHRHPGDMAPK1MAPTGPR84
SCHEMBL31742396 0.83 TSHR (0.50) TSHRHPGDMAPK1MAPTGPR84
SCHEMBL11060479 0.83 TSHR (0.50) TSHRHPGDMAPK1MAPTCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1182189-B1 Process for recovering butyl acrylate substantially free from acrylic acid ROHM & HAAS (US) 2005-03-09 EP disclosed
US-6506930-B1 Charging reactor with C1-C4 alcohol, (meth)acrylic acid, strong acid catalyst, inhibitor and water to form mixture, reacting to form a C1-C4 alkyl (meth) acrylate and process impurities which are hydrolyzed, separating ester and water ROHM AND HAAS COMPANY 2003-01-14 US disclosed
EP-0779268-B1 Process for producing alkyl acrylate ROHM & HAAS (US) 2002-06-19 EP disclosed
EP-1182189-A2 Process for recovering butyl acrylate substantially free from acrylic acid ROHM AND HAAS COMPANY (US) 2002-02-27 EP disclosed
EP-0916643-B1 A process for preparing alkyl (meth)acrylates ROHM & HAAS (US) 2001-12-19 EP disclosed
US-6180819-B1 DISTILLING FROM ESTERIFICATION REACTOR VAPORIZED MIXTURE OF ACRYLIC ACID, ALKYL ACRYLATE, ALKANOL AND WATER, SEPARATING ORGANIC AND AQUEOUS PHASES, FEEDING TO ACRYLIC ACID SEPARATION COLUMN, DISTILLING AZEOTROPE MIXTURE, SEPARATING ESTER ROHM AND HAAS COMPANY 2001-01-30 US disclosed
EP-0916643-A1 A process for preparing alkyl (meth)acrylates ROHM AND HAAS COMPANY (US) 1999-05-19 EP disclosed
EP-0779268-A1 Process for producing alkyl acrylate ROHM AND HAAS COMPANY (US) 1997-06-18 EP disclosed