SCHEMBL6237816

SCHEMBL6237816

CC(C)(CC(=O)CP(=O)(O)O)c1ccccc1F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KCNN4 O15554 5/20 0.36
CYP2C19 P33261 2/20 0.34
HIF1A Q16665 1/20 0.34
GAA P10253 2/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
RIPK1 Q13546 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 2/20 0.32
KAT6A Q92794 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL8345266 0.83 RIPK1 (0.34) CYP2C19HIF1AGAARIPK1KAT6A
SCHEMBL9229179 0.81 ACP3 (0.47) L3MBTL1
SCHEMBL187685 0.78 CYP2C19 (0.46) HDAC6HDAC3HDAC1HDAC2CYP2C19
SCHEMBL8060409 0.74 KCNN4 (0.43) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL779166 0.70 PTPN1 (0.41) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL2139453 0.69 KCNN4 (0.39) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL779068 0.67 RIPK1 (0.39) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL8343080 0.67 TAAR1 (0.44) HIF1A
SCHEMBL24011029 0.67 ADRB2 (0.47) HDAC6HDAC3HDAC1HDAC2KCNN4
SCHEMBL25262090 0.67 KCNN4 (0.33) HDAC6HDAC3HDAC1HDAC2KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021402-B1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS UNIV DUKE (US) 2005-11-23 EP disclosed
EP-1066254-B1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS UNIV DUKE (US) 2005-05-25 EP disclosed
EP-1082299-B1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS UNIV DUKE (US) 2004-06-30 EP disclosed
EP-1202999-B1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS PROCTER & GAMBLE (US) 2003-06-18 EP disclosed
US-6444840-B1 BONE DISORDERS; VISION DEFECTS THE PROCTER & GAMBLE CO. 2002-09-03 US disclosed
US-6410780-B1 BONE DISORDERS; VISION DEFECTS THE PROCTER & GAMBLE CO. 2002-06-25 US disclosed
EP-1202999-A1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS THE PROCTER & GAMBLE COMPANY (US) 2002-05-08 EP disclosed
US-6372730-B1 PROSTAGLANDINS FOR VISION DEFECTS, CARDIOVASCULAR DISORDERS AND BONE DISORDERS THE PROCTER & GAMBLE COMPANY 2002-04-16 US disclosed
EP-1082299-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS THE PROCTER & GAMBLE COMPANY (US) 2001-03-14 EP disclosed
WO-2001010873-A1 NOVEL 2-DECARBOXY-2-PHOSPHINICO PROSTAGLANDIN F ANALOGS THE PROCTER & GAMBLE COMPANY (US) 2001-02-15 WO disclosed
EP-1066254-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2001-01-10 EP disclosed
US-6107338-A BONE DISORDERS; GLAUCOMA THE PROCTER & GAMBLE COMPANY (US) 2000-08-22 US disclosed
EP-1021402-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 2000-07-26 EP disclosed
WO-1999050241-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS MEDICAMENTS THE PROCTER & GAMBLE COMPANY (US) 1999-10-07 WO disclosed
WO-1999050242-A1 C11 OXYMYL AND HYDROXYLAMINO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-10-07 WO disclosed
WO-1999012896-A1 AROMATIC C16-C20-SUBSTITUTED TETRAHYDRO PROSTAGLANDINS USEFUL AS FP AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1999-03-18 WO disclosed