SCHEMBL4303634

SCHEMBL4303634

O=C(O)CCC/C=C/CC1C(=O)CC(O)C1/C=C/C(O)COc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGFR P43088 12/20 1.00
PTGER3 P43115 6/20 1.00
THRB P10828 2/20 0.77
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
TBXA2R P21731 4/20 0.70
PTGER1 P34995 3/20 0.70
PTGER2 P43116 3/20 0.65
PTGER4 P35408 2/20 0.65
PTGIR P43119 2/20 0.65
NR1I2 O75469 1/20 0.65
ESR1 P03372 1/20 0.65
PGR P06401 1/20 0.65
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
OPRK1 P41145 1/20 0.65
PDE4D Q08499 1/20 0.65
MGLL Q99685 1/20 0.57

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
SCHEMBL4303639 1.00 PTGFR (1.00) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3052474 0.90 PTGFR (0.82) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL12928657 0.90 PTGFR (0.82) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3052476 0.90 PTGFR (0.82) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3052472 0.90 PTGFR (0.82) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3056284 0.88 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL29392750 0.88 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3056281 0.88 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL3056287 0.88 PTGFR (0.79) PTGFRPTGER3THRBMEN1KMT2A
SCHEMBL11337829 0.88 PTGFR (0.78) PTGFRPTGER3THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2084124-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF PROSTAGLANDINS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES Techfields Biochem Co. Ltd. (CN) 2009-08-05 EP disclosed
WO-2008041054-A1 POSITIVELY CHARGED WATER-SOLUBLE PRODRUGS OF PROSTAGLANDINS AND RELATED COMPOUNDS WITH VERY HIGH SKIN PENETRATION RATES TECHFIELDS BIOCHEM CO. LTD (CN) 2008-04-10 WO disclosed