SCHEMBL5141373

SCHEMBL5141373

CCCCCN1CC(F)(F)C1=O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
MGLL Q99685 3/20 0.37
FAAH O00519 3/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
CYP19A1 P11511 5/20 0.35
ALOX5 P09917 2/20 0.34
ADRA2A P08913 1/20 0.34

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
SCHEMBL8791482 0.78 GBA1 (0.40) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL7361340 0.72 SMN1; SMN2 (0.36) GBA1ALDH1A1GAACYP19A1
SCHEMBL9578281 0.70 GBA1 (0.38) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL10915954 0.69 GBA1 (0.42) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL8803997 0.69 PLA2G2A (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL4421172 0.69 GBA1 (0.44) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9769271 0.67 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9769185 0.67 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL9617015 0.67 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH
SCHEMBL31093244 0.67 GBA1 (0.47) GBA1PTGS1PTGS2MGLLFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070874-A1 using retinoid or tetracycline as bactericide, benzoyl peroxide as metalloproteinases (MMPs) and neutrophil elastase inhibitors; antiscarring agents; reduction in procollagen biosynthesis THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2008-03-20 US disclosed
US-7268148-B2 Compositions and methods for use against acne-induced inflammation and dermal matrix-degrading enzymes REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-09-11 US disclosed
US-20060009494-A1 Compositions and methods for use against acne-induced inflammation and dermal matrix-degrading enzymes VOORHEES JOHN J 2006-01-12 US disclosed
US-20050277695-A1 Compositions and methods for use against acne-induced inflammation and dermal matrix-degrading enzymes VOORHEES JOHN J 2005-12-15 US disclosed
US-20040235950-A1 Compositions and methods for use against acne-induced inflammation and dermal matrix-degrading enzymes REGENTS OF THE UNIVERSITY OF MICHIGAN, THE 2004-11-25 US disclosed
EP-1284721-A2 COMPOSITIONS AND METHODS FOR USE AGAINST ACNE-INDUCED INFLAMMATION AND DERMAL MATRIX-DEGRADING ENZYMES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2003-02-26 EP disclosed
WO-2001089502-A2 COMPOSITIONS AND METHODS FOR USE AGAINST ACNE-INDUCED INFLAMMATION AND DERMAL MATRIX-DEGRADING ENZYMES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2001-11-29 WO disclosed