SCHEMBL7795606

SCHEMBL7795606

C(CCC1OCCO1)CCC1OCCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
EPHX1 P07099 1/20 0.39
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31
SPHK2 Q9NRA0 3/20 0.30
SPHK1 Q9NYA1 3/20 0.30

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
SCHEMBL3807307 1.00 ALDH1A1 (0.42) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL2462839 0.90 ALDH1A1 (0.32) ALDH1A1
SCHEMBL31541808 0.89 PRKD3 (0.38) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL15560286 0.87 ALDH1A1 (0.62) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL19306483 0.87 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL11035529 0.87 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL829693 0.87 ALDH1A1 (0.34) ALDH1A1EPHX1
SCHEMBL2102930 0.87 ALDH1A1 (0.62) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL10514828 0.87 ALDH1A1 (0.62) ALDH1A1EPHX1PRKD3PRKCGPRKCB
SCHEMBL16510278 0.87 ALDH1A1 (0.34) ALDH1A1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1026947-B1 COMPOSITION AND METHOD FOR TREATING PENILE ERECTILE DYSFUNCTION MACROCHEM CORP (US) 2001-12-05 EP disclosed
EP-1026947-A4 COMPOSITION AND METHOD FOR TREATING PENILE ERECTILE DYSFUNCTION MACROCHEM CORP (US) 2000-10-25 EP disclosed
EP-1026947-A1 COMPOSITION AND METHOD FOR TREATING PENILE ERECTILE DYSFUNCTION MacroChem Corporation (US) 2000-08-16 EP disclosed
WO-1999065303-A1 COMPOSITION AND METHOD FOR TREATING PENILE ERECTILE DYSFUNCTION MACROCHEM CORPORATION (US) 1999-12-23 WO disclosed
US-5942545-A Composition and method for treating penile erectile dysfunction MACROCHEM CORPORATION (US) 1999-08-24 US disclosed
US-5527797-A IONTOPHORESIS MACROCHEM CORPORATION (US) 1996-06-18 US disclosed
EP-0552879-A1 Improved iontophoretic administration of drugs MACROCHEM CORPORATION (US) 1993-07-28 EP disclosed
EP-0268460-B1 NEW PERCUTANEOUS ABSORPTION ENHANCERS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE Macrochem Corporation (US) 1991-11-06 EP disclosed
US-4861764-A Percutaneous absorption enhancers, compositions containing same and method of use MACRO CHEM. CORP. (US) 1989-08-29 US disclosed
EP-0268460-A1 New percutaneous absorption enhancers, compositions containing same and method of use Macrochem Corporation (US) 1988-05-25 EP disclosed