SCHEMBL11218311

SCHEMBL11218311

CC1OC2(C)CCC1C(C)(C)C2

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RECQL P46063 1/20 0.34
CYP3A4 P08684 3/20 0.32
ALDH1A1 P00352 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
SCHEMBL15778806 0.70 LMNA (0.37) LMNAMAPTTSHRMAPK1RECQL
SCHEMBL11827845 0.60 ALDH1A1 (0.40) ALDH1A1
SCHEMBL3573704 0.60
SCHEMBL22726281 0.58 CYP3A4 (0.34) LMNAMAPTTSHRMAPK1RECQL
SCHEMBL18393366 0.57 ALDH1A1 (0.33) CYP3A4ALDH1A1
SCHEMBL7167900 0.57 ALDH1A1 (0.33) CYP3A4ALDH1A1
SCHEMBL9943079 0.55
SCHEMBL22259090 0.55 LMNA (0.32) LMNAMAPTTSHRMAPK1RECQL
SCHEMBL12242318 0.55
SCHEMBL910593 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4320771-A Use of 2-oxabicyclooctane derivative in augmenting or enhancing the aroma or taste of smoking tobaccos and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-23 US claimed
US-4303725-A Process for augmenting or enhancing aroma of headspace in dryer using fabric softener article containing 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-01 US claimed
US-4269862-A ORGANOLEPTIC; PERFUMES, CHEWING GUM, DENTIFRICES, TOBACCO, DETERGENTS AND FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-26 US claimed
US-4267067-A Process for augmenting or enhancing the aroma of a detergent using 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US claimed
US-4320771-A Use of 2-oxabicyclooctane derivative in augmenting or enhancing the aroma or taste of smoking tobaccos and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-23 US disclosed
US-4320771-A Use of 2-oxabicyclooctane derivative in augmenting or enhancing the aroma or taste of smoking tobaccos and smoking tobacco articles INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-03-23 US disclosed
US-4303725-A Process for augmenting or enhancing aroma of headspace in dryer using fabric softener article containing 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-01 US disclosed
US-4303725-A Process for augmenting or enhancing aroma of headspace in dryer using fabric softener article containing 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-12-01 US disclosed
US-4289705-A PERFUMES AND FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-15 US disclosed
US-4289705-A PERFUMES AND FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-15 US disclosed
US-4269862-A ORGANOLEPTIC; PERFUMES, CHEWING GUM, DENTIFRICES, TOBACCO, DETERGENTS AND FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-26 US disclosed
US-4269862-A ORGANOLEPTIC; PERFUMES, CHEWING GUM, DENTIFRICES, TOBACCO, DETERGENTS AND FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-26 US disclosed
US-4269862-A ORGANOLEPTIC; PERFUMES, CHEWING GUM, DENTIFRICES, TOBACCO, DETERGENTS AND FABRIC SOFTENERS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-26 US disclosed
US-4267067-A Process for augmenting or enhancing the aroma of a detergent using 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US disclosed
US-4267067-A Process for augmenting or enhancing the aroma of a detergent using 2-oxabicyclooctane derivative INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-05-12 US disclosed