SCHEMBL3113994

SCHEMBL3113994

C1CCC2CCCC2C1.CCOC(C)OCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
ALDH1A1 P00352 1/20 0.38
THRB P10828 1/20 0.33
SHBG P04278 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
Biphenyl SCHEMBL7905888 0.95 LMNA (0.57) LMNAALDH1A1THRBSHBG
Biphenyl SCHEMBL134670 0.81 LMNA (0.41) LMNA
Cyclopropane SCHEMBL1406305 0.79 LMNA (0.80) LMNATHRB
SCHEMBL7847095 0.79 LMNA (0.80) LMNATHRB
SCHEMBL2739863 0.77 LMNA (0.52) LMNATHRB
SCHEMBL10773969 0.77 LMNA (0.41) LMNA
SCHEMBL2739864 0.76 LMNA (0.50) LMNASHBG
SCHEMBL9459 0.76
SCHEMBL2094168 0.76 LMNA (1.00) LMNATHRB
SCHEMBL2739867 0.74 LMNA (0.48) LMNATHRBSHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3362428-B1 NOVEL OCTAHYDROINDENYL PROPANAL COMPOUNDS INT FLAVORS & FRAGRANCES INC (US) 2020-05-06 EP disclosed
EP-1801109-B1 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2010-04-07 EP disclosed
EP-1801109-B1 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INT FLAVORS & FRAGRANCES INC (US) 2010-04-07 EP disclosed
EP-1801109-A3 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-07-18 EP disclosed
EP-1801109-A3 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-07-18 EP disclosed
EP-1801109-A2 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-06-27 EP disclosed
EP-1801109-A2 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-06-27 EP disclosed
EP-1801109-A2 Hexahydroindan acetal and ketal compounds and their use in perfume compositons INTERNATIONAL FLAVORS & FRAGRANCES, INC. (US) 2007-06-27 EP disclosed
US-7176324-B1 Hexahydroindan acetal and ketal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-02-13 US disclosed
US-7176324-B1 Hexahydroindan acetal and ketal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-02-13 US disclosed
US-7176324-B1 Hexahydroindan acetal and ketal compounds and their use in perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2007-02-13 US disclosed