SCHEMBL11536645

SCHEMBL11536645

CCC(O)C1C2CCC(C2)C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 2/20 0.36
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL11532911 0.86 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL10942651 0.80 UGT2B7 (0.42) UGT2B7ALDH1A1NPSR1
SCHEMBL11534412 0.80 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL872722 0.79 ALDH1A1 (0.33) UGT2B7ALDH1A1NPSR1
SCHEMBL6535036 0.76 ALDH1A1 (0.32) ALDH1A1NPSR1
SCHEMBL7545028 0.69
SCHEMBL11534418 0.69 ALDH1A1 (0.31) ALDH1A1NPSR1
SCHEMBL9799218 0.69 RET (0.34) ALDH1A1NPSR1
SCHEMBL10889491 0.68 ACHE (0.33)
SCHEMBL7548127 0.67 ALDH1A1 (0.30) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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-4136120-A GRIGNARD REACTION, CHELATION, HYDROLYSIS, DEHYDRATION INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-01-23 US disclosed
US-4136208-A FLAVORING WITH SUBSTITUTED NORBORNANE DERIVATIVES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-01-23 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