SCHEMBL6665142

SCHEMBL6665142

CCOC(=O)COCCOCCOCC(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
MGAM O43451 1/20 0.52
SI P14410 1/20 0.52
MGAM2 Q2M2H8 1/20 0.52
ALDH1A1 P00352 4/20 0.48
TRPA1 O75762 1/20 0.48
TSHR P16473 2/20 0.44
LMNA P02545 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SOAT1 P35610 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
THRB P10828 1/20 0.39
ELANE P08246 1/20 0.38
NLRP3 Q96P20 2/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38

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
SCHEMBL11163358 0.97 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947671 0.93 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26728149 0.93 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL20365463 0.93 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL17947600 0.93 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL364270 0.93 ALDH1A1 (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23636486 0.91 ALDH1A1 (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5359530 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21069463 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL21068824 0.91 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910331-B1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 2004-09-08 EP claimed
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US claimed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US claimed
EP-0910331-A4 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PROD INC (US) 1999-11-03 EP claimed
EP-0910331-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1999-04-28 EP claimed
US-5834513-A TOPICAL COMPOSITION FOR TREATING SKIN CONDITIONS CHARACTERIZED BY ABNORMAL DESQUAMATION AVON PRODUCTS, INC. (US) 1998-11-10 US claimed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US claimed
WO-1997039726-A1 OXA DIACIDS AND RELATED COMPOUNDS FOR TREATING SKIN CONDITIONS AVON PRODUCTS, INC. (US) 1997-10-30 WO claimed
US-6350795-B1 ACOUSTIC PHASE-CHANGE CONDUCTIVE INK CONTAINING LOW MOLECULAR WEIGHT OXYALKYLENE SEGMENTS COMPLEXED WITH UREA DERIVATIVES XEROX CORPORATION 2002-02-26 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed
US-5834513-A TOPICAL COMPOSITION FOR TREATING SKIN CONDITIONS CHARACTERIZED BY ABNORMAL DESQUAMATION AVON PRODUCTS, INC. (US) 1998-11-10 US disclosed
US-5700316-A COMPRISED OF COLORANT AND VEHICLE OF POLY(ALKYLENE OXIDE) ALKYLATE OR DIALKYLATE OR POLYOXA-ALKANOIC ESTER OR DIESTER XEROX CORPORATION (US) 1997-12-23 US disclosed