SCHEMBL3300808

SCHEMBL3300808

CC(C)(O)C#Cc1ccc2c(c1)C(C)(C)CCC2(C)C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 9/20 0.56
RARG P13631 9/20 0.56
RARA P10276 5/20 0.56
CYP26A1 O43174 3/20 0.56
CYP3A4 P08684 2/20 0.56
CRABP2 P29373 1/20 0.56
ALK Q9UM73 1/20 0.42
RXRA P19793 10/20 0.41
RXRB P28702 9/20 0.41
RXRG P48443 6/20 0.39
BACE1 P56817 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP26B1 Q9NR63 2/20 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
SCHEMBL5419989 0.78 RARB (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8901695 0.78 RARB (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL14257543 0.76 RARB (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8361240 0.75 RARB (0.57) RARBRARGRARACYP26A1CYP3A4
SCHEMBL12617402 0.75 ALK (0.38) ALKBACE1KCNH2
SCHEMBL9484589 0.75 RARB (0.65) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7882967 0.74 RARB (0.68) RARBRARGRARACYP26A1CYP3A4
SCHEMBL3300659 0.73 RARB (0.55) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8522445 0.73 RARB (0.59) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9483828 0.73 RARB (0.63) RARBRARGRARACYP26A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230380437-A1 METHOD FOR SMEAR-RIPENING OF CHEESE Eidgenössisches Departement für Wirtschaft, Bildung und Forschung (WBF) Agroscope (CH) 2023-11-30 US disclosed
US-20170224745-A1 BACILLUS AMYLOLIQUEFACIENS PROBIOTIC COMPOSITIONS, METHODS OF PRODUCTION, AND METHODS OF USE THE UNIVERSITY OF QUEENSLAND (AU) 2017-08-10 US disclosed
US-8293803-B2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2012-10-23 US disclosed
US-8293819-B2 Method for producing particles and particles CANON KABUSHIKI KAISHA (JP) 2012-10-23 US disclosed
US-20100092778-A1 METHOD FOR PRODUCING PARTICLES AND PARTICLES CANON KABUSHIKI KAISHA (JP) 2010-04-15 US disclosed
US-20100093088-A1 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2010-04-15 US disclosed
EP-2130908-A2 Retinoid compounds and their use REINNERVATE LIMITED (GB) 2009-12-09 EP disclosed
EP-2054504-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2009-05-06 EP disclosed
WO-2008025965-A2 RETINOID COMPOUNDS AND THEIR USE REINNERVATE LIMITED (GB) 2008-03-06 WO disclosed
EP-1158867-B1 PET FOOD PRODUCT WITH COCONUT ENDOSPERM FIBRE MARS UK LTD (GB) 2006-06-14 EP disclosed
US-6656512-B1 Preventing intestinal inflammation and bacterial infection MARS UK LIMITED (GB) 2003-12-02 US disclosed
EP-1158867-A2 PET FOOD PRODUCT WITH COCONUT ENDOSPERM FIBRE MARS UK LIMITED (GB) 2001-12-05 EP disclosed
WO-2000053030-A2 PET FOOD PRODUCT WITH COCONUT ENDOSPERM FIBRE MARS UK LIMITED (GB) 2000-09-14 WO disclosed