SCHEMBL7652498

SCHEMBL7652498

NC(=O)OC1CC(=O)O[C@H]1Cc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKCA P17252 6/20 0.39
ABCB1 P08183 8/20 0.38
CTRB1 P17538 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL7652501 1.00 PRKCA (0.39) PRKCAABCB1CTRB1TSHR
SCHEMBL28447134 0.72 CTSD (0.41)
SCHEMBL28434683 0.72 CTSD (0.41)
SCHEMBL382340 0.71 CASP3 (0.39) CTRB1
SCHEMBL28184425 0.70 FASN (0.39) ABCB1CTRB1TSHR
SCHEMBL13275836 0.69 ALDH1A1 (0.35) TSHR
SCHEMBL7628338 0.68 GRM2 (0.53) CTRB1
SCHEMBL11000844 0.68 CTRB1 (0.52) CTRB1TSHR
SCHEMBL18175957 0.65 CTRB1 (0.42) ABCB1CTRB1
SCHEMBL28330989 0.65 GRM2 (0.40) ABCB1CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6288141-B1 Ink compositions XEROX CORPORATION 2001-09-11 US claimed
US-6132499-A Inks XEROX CORPORATION (US) 2000-10-17 US claimed
US-6110265-A Ink compositions XEROX CORPORATION (US) 2000-08-29 US claimed
US-6106601-A MIXTURE CONTAINING OXAZOLINE AND THIOUREA COMPOUNDS XEROX CORPORATION (US) 2000-08-22 US claimed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US claimed
US-6071333-A Ink compositions XEROX CORPORATION (US) 2000-06-06 US claimed
US-6045607-A FIRST AND SECOND SOLID CARBAMATES WITH A DISSIMILAR MELTING POINTS; LIGHTFASTNESS COMPONENT; A LIGHTFASTNESS ANTIOXIDANTS, AND A COLORANT; USEFUL FOR ACOUSTIC INK PRINTING XEROX CORPORATION (US) 2000-04-04 US claimed
US-6334890-B1 COMPOSITION COMPRISED OF OXAZOLINE COMPOUND WITH SPECIFIED MELTING POINT AND ACOUSTIC LOSS VALUE, LONG CHAIN CARBAMATE, ALCOHOL COMPOUND, LIGHTFASTNESS COMPONENT, LIGHTFASTNESS ANTIOXIDANT, COLORANT XEROX CORPORATION 2002-01-01 US disclosed
US-6288141-B1 Ink compositions XEROX CORPORATION 2001-09-11 US disclosed
US-6187082-B1 COMPOSITION COMPRISED OF THIOUREA AND INK CARBAMATE, EACH WITH SPECIFIED MELTING POINT AND ACOUSTIC-LOSS VALUE, LIGHTFASTNESS COMPONENT, LIGHTFAST ANTIOXIDANT, COLORANT XEROX CORPORATION 2001-02-13 US disclosed
US-6132499-A Inks XEROX CORPORATION (US) 2000-10-17 US disclosed
US-6110265-A Ink compositions XEROX CORPORATION (US) 2000-08-29 US disclosed
US-6106601-A MIXTURE CONTAINING OXAZOLINE AND THIOUREA COMPOUNDS XEROX CORPORATION (US) 2000-08-22 US disclosed
US-6096125-A Ink compositions XEROX CORPORATION (US) 2000-08-01 US disclosed
US-6071333-A Ink compositions XEROX CORPORATION (US) 2000-06-06 US disclosed
US-6066200-A COMPRISING A SOLID UREA COMPOUND, AN ALCOHOL, A LIGHTFASTNESS COMPONENT, A LIGHTFAST ANTIOXIDANT, AND A COLORANT XEROX CORPORATION (US) 2000-05-23 US disclosed
US-6045607-A FIRST AND SECOND SOLID CARBAMATES WITH A DISSIMILAR MELTING POINTS; LIGHTFASTNESS COMPONENT; A LIGHTFASTNESS ANTIOXIDANTS, AND A COLORANT; USEFUL FOR ACOUSTIC INK PRINTING XEROX CORPORATION (US) 2000-04-04 US disclosed