SCHEMBL7549733

SCHEMBL7549733

CC1(C)C2CCC(CC=O)C1C2

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.45
MAPK14 Q16539 1/20 0.45
CAMK1D Q8IU85 1/20 0.45
HDAC6 Q9UBN7 3/20 0.41
TBXA2R P21731 2/20 0.38
EPHX2 P34913 1/20 0.36
OPRM1 P35372 1/20 0.34
OPRK1 P41145 1/20 0.34
OPRL1 P41146 1/20 0.34
S1PR1 P21453 1/20 0.34
CXCR3 P49682 2/20 0.33
ALOX15 P16050 1/20 0.32
CNR2 P34972 1/20 0.32
SCN9A Q15858 4/20 0.31
SCN5A Q14524 1/20 0.31
CNR1 P21554 1/20 0.31
HSD11B1 P28845 1/20 0.31
OGFRL1 Q5TC84 1/20 0.31

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
SCHEMBL14484239 1.00 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL15665353 1.00 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL15665354 1.00 RET (0.45) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL9793694 0.85 RET (0.36) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL9793697 0.85 RET (0.36) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL9426196 0.78 RET (0.49) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL30231793 0.76 MAPK14 (0.46) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL1788714 0.76 RET (0.51) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL1786883 0.76 RET (0.51) RETMAPK14CAMK1DHDAC6TBXA2R
SCHEMBL3708800 0.76 RET (0.51) RETMAPK14CAMK1DHDAC6TBXA2R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0746552-B1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN SA (CH) 2002-06-12 EP disclosed
US-5665696-A ODORANT COMPOSITIONS GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) 1997-09-09 US disclosed
EP-0746552-A1 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-12-11 EP disclosed
WO-1996020185-A2 TETRAHYDROFURANS AND TETRAHYDROPYRANS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1996-07-04 WO disclosed
US-4605793-A REACTING ALPHA OR BETA PINENE WITH CARBON MONOXIDE AND HYDROGEN; REACTING ALDEHYDE FORMED WITH METHYL ETHYL KETONE; REDUCTION INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1986-08-12 US disclosed
US-4591451-A Methyl substituted pinyl oxopentenes and organoleptic uses thereof INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1986-05-27 US disclosed
US-4549971-A Methyl substituted pinyl oxopentenes, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-10-29 US disclosed
US-4533491-A Organoleptic use of methyl substituted pinyl oxopentenes INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-08-06 US disclosed
US-4510340-A PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-04-09 US disclosed
US-4506104-A FERFUMES; FLAVORS, FOODS INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 1985-03-19 US disclosed
US-4481221-A NORPINANE OR NORBORNANE RING INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-11-06 US disclosed
US-4428387-A Use of methyl substituted pinyl oxopentenes, for augmenting, enhancing of modifying the aroma or taste of smoking tobacco and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-01-31 US disclosed
US-4425365-A HYDROFORMYLATION OF PINENE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-01-10 US disclosed
US-4424378-A Methyl substituted pinyl oxopentenes, organoleptic uses thereof and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-01-03 US disclosed
EP-0011272-B1 PROCESS FOR THE PREPARATION OF ALDEHYDES AND USE OF THE REACTION PRODUCTS AS PERFUMES Henkel Kommanditgesellschaft auf Aktien (DE) 1983-02-16 EP disclosed
US-4334100-A Production of aldehydes HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 1982-06-08 US disclosed
EP-0018504-A1 Use of aldehydes as microbicides Henkel Kommanditgesellschaft auf Aktien (DE) 1980-11-12 EP disclosed
EP-0011272-A2 Process for the preparation of aldehydes and use of the reaction products as perfumes Henkel Kommanditgesellschaft auf Aktien (DE) 1980-05-28 EP disclosed
US-4125484-A Tertiary alcohols SHELL OIL COMPANY (US) 1978-11-14 US disclosed