SCHEMBL6748871

SCHEMBL6748871

C=CCC(C)CC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.32
CYP1A2 P05177 1/20 0.31
CTSL P07711 2/20 0.30
CTSB P07858 2/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30

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
SCHEMBL3155857 0.79 CYP1A2 (0.40) CTSKCYP1A2CTSLCTSB
SCHEMBL23960 0.79 ADH1C (0.38) CTSKCTSLCTSB
SCHEMBL24601 0.77 ADH1B (0.34) CTSKCTSLCTSB
SCHEMBL19074109 0.76 SHBG (0.34) CYP1A2
SCHEMBL1903005 0.76 CYP1A2 (0.34) CTSKCYP1A2CTSLCTSB
SCHEMBL7087843 0.75 CYP1A2 (0.37) CTSKCYP1A2CTSLCTSB
SCHEMBL21658646 0.74 CTSK (0.33) CTSKCYP1A2CTSLCTSBIDO1
SCHEMBL30045024 0.73 METAP1 (0.31) CYP1A2
SCHEMBL17937254 0.73 TP53 (0.33)
SCHEMBL2422889 0.73 SHBG (0.42) CTSKCYP1A2CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6703011-B2 EMULSIFIER-FREE, SINGLE PHASE, NONPOROUS, CONTINUOUS, PERMEABLE POLYMERIC FILM HAVING FRAGRANCE ENTRAPPED AND DISSOLVED THEREIN WHICH DIFFUSES IN A SUSTAINED AND CONTROLLED RELEASE MANNER INTO THE ENVIRONMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2004-03-09 US disclosed
US-6645479-B1 Ellipsoidal hydrophobic particles with continuous outer surface and internal matrix volume consisting: a single phase solid solution of a matrix material and at least one hydrophobic wax and a hydrophilic surfactant; time-release INTERNATIONAL FLAVORS & FRAGRANCES INC. 2003-11-11 US disclosed
US-6426055-B1 COMPUTER CONTROLLED MIXING; EMULSIFIER-FREE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-07-30 US disclosed
US-6291371-B1 FABRICS WITH COATING OF POLYMER AND FRAGRANCE SUBSTANCE TO EVOLVE A CONTROLLED RELEASE SUBSTANCE INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-09-18 US disclosed
US-6156826-A Matrix composition comprising surfactant and matrix useful for targeted delivery articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-12-05 US disclosed
US-6063365-A PERMEABLE POLYMER AND FRAGRANCE ON SURFACE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-05-16 US disclosed
EP-0985417-A2 Fragrance control release systems INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2000-03-15 EP disclosed
EP-0908174-A2 Compositions for fragrancing at least one perfumable material and fragrance diffusion evaluation apparatus INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1999-04-14 EP disclosed