SCHEMBL6563469

SCHEMBL6563469

CCCCCCCC=C(C)C1CC(=O)OC1=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
TSHR P16473 1/20 0.52
TYR P14679 1/20 0.37
EP300 Q09472 1/20 0.37
CCR2 P41597 1/20 0.35
PPARG P37231 3/20 0.35
PRKCA P17252 3/20 0.34
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
CDC25C P30307 1/20 0.33

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
SCHEMBL6563503 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTYREP300CCR2
SCHEMBL6565742 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTYREP300CCR2
SCHEMBL9817245 1.00 ALDH1A1 (0.52) ALDH1A1TSHRTYREP300CCR2
SCHEMBL2672102 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTYREP300CCR2
SCHEMBL22960791 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTYREP300CCR2
SCHEMBL10531996 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTYREP300CCR2
SCHEMBL17728124 0.84 ALDH1A1 (0.51) ALDH1A1TSHRTYREP300CCR2
SCHEMBL9822332 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTYREP300PRKCA
SCHEMBL9817267 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTYREP300PPARG
SCHEMBL11544335 0.83 ALDH1A1 (0.50) ALDH1A1TSHRTYREP300PPARG

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
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP claimed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP claimed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US claimed
EP-0854177-B1 Ink compositions XEROX CORP (US) 2004-03-31 EP disclosed
EP-0854177-A1 Ink compositions XEROX CORPORATION (US) 1998-07-22 EP disclosed
US-5693128-A INK COMPRISED OF COLORANT AND REVERSIBLE CROSSLINKED COMPONENT VEHICLE OBTAINED FROM REACTION PRODUCT OF MONOANHYDRIDE AND POLYAMINE XEROX CORPORATION (US) 1997-12-02 US disclosed
US-5688312-A INKS WITH COLORS AND IMIDES OR BISIMIDES, FOR ACOUSTIC INK PRINTER AND DROP EJECTOR XEROX CORPORATION (US) 1997-11-18 US disclosed