SCHEMBL7742103

SCHEMBL7742103

CCCCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 9/20 1.00
PTGER2 P43116 4/20 1.00
TSHR P16473 3/20 1.00
PTGER4 P35408 3/20 1.00
NR4A2 P43354 3/20 1.00
HPGD P15428 2/20 1.00
MAPK1 P28482 2/20 1.00
MEN1 O00255 1/20 1.00
CYP3A4 P08684 1/20 1.00
KMT2A Q03164 1/20 1.00
ABCC3 O15438 1/20 1.00
ABCC4 O15439 1/20 1.00
RARB P10826 1/20 1.00
RARG P13631 1/20 1.00
DRD1 P21728 1/20 1.00
LMNA P02545 1/20 1.00
CYP2C19 P33261 1/20 1.00
HIF1A Q16665 1/20 1.00
NR1I2 O75469 1/20 0.73
ESR1 P03372 1/20 0.73

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
Alprostadil SCHEMBL5303767 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL12987687 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL11695818 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL11864105 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL23353047 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL23353103 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL23352620 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL23352905 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
Alprostadil SCHEMBL22425786 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2
SCHEMBL11863995 1.00 PTGIR (1.00) PTGIRPTGER2TSHRPTGER4NR4A2

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
US-6420422-B1 PROSTAGLANDIN-DERIVED DRUGS; ENHANCED POTENCY; REDUCED SIDE EFFECTS SUCAMPO PHARMACEUTICALS, INC. 2002-07-16 US disclosed
EP-0580268-B1 Ocular hypotensive agents R TECH UENO LTD (JP) 1998-01-14 EP disclosed
EP-0366279-B1 Ocular hypotensive agents R TECH UENO LTD (JP) 1994-09-21 EP disclosed
EP-0580268-A2 Ocular hypotensive agents R-TECH UENO LTD. (JP) 1994-01-26 EP disclosed
US-5236907-A 20-substituted prostaglandin derivatives R-TECH UENO LTD. (JP) 1993-08-17 US disclosed