SCHEMBL11535645

SCHEMBL11535645

CC(C)C=CC(=O)C1C2C=CC(C2)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL11533600 0.83 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL11541316 0.83 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL11538735 0.75 ALDH1A1 (0.33) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL9298779 0.73 ALDH1A1 (0.38) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL8996568 0.73 TDP1 (0.41) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL3192520 0.73 TDP1 (0.38) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL11534462 0.68 TAS1R3 (0.32) ALDH1A1
SCHEMBL11636805 0.67 TDP1 (0.37) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL11534624 0.67 ALDH1A1 (0.35) ALDH1A1TDP1KDM4ELMNAMEN1
SCHEMBL11569482 0.66 LMNA (0.44) ALDH1A1TDP1KDM4ELMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153568-A Process of enhancing the aroma of a soap with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-08 US disclosed
US-4153811-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-05-08 US disclosed
US-4151309-A FOODS, CHEWING GUM, DENTIFRICES, DRUGS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-24 US disclosed
US-4151309-A FOODS, CHEWING GUM, DENTIFRICES, DRUGS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-24 US disclosed
US-4148826-A PERFUMES, FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-04-10 US disclosed
US-4143074-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-03-06 US disclosed
US-4130587-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-19 US disclosed
US-4126569-A Process of enhancing the aroma of a soap with liquid detergent norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126571-A Process of enhancing the aroma of a soap with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4126570-A Process of enhancing the aroma of a detergent with norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-11-21 US disclosed
US-4123393-A Substituted-norbornane perfume compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-31 US disclosed
US-4120308-A Substituted norbornane derivatives used in the process of flavoring tobacco and the product thereof INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-17 US disclosed
US-4119577-A Substituted-norbornane perfumes compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-10-10 US disclosed
US-4076853-A Flavoring with substituted norbornane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-02-28 US disclosed