SCHEMBL11329636

SCHEMBL11329636

COC(C)(C)[C@H]1CC[C@](C)(OC)CC1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL11218818 1.00 ALDH1A1 (0.34) ALDH1A1TDP1
SCHEMBL20594351 0.82 ALDH1A1 (0.37) ALDH1A1TDP1
SCHEMBL28019093 0.76 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL12066331 0.75
SCHEMBL17190694 0.75
SCHEMBL12389992 0.74
SCHEMBL18367850 0.71 THRA (0.33)
SCHEMBL18367848 0.71 THRA (0.33)
SCHEMBL12401058 0.71 THRA (0.33)
SCHEMBL18392914 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275080-A Flavoring with 8-p-cymenyl-ethyl ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-06-23 US disclosed
US-4255460-A FOOD AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-03-10 US disclosed
US-4252828-A FOODS, CHEWING GUM, AROMA INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-24 US disclosed
US-4246287-A LEMON FLAVOR INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-01-20 US disclosed
US-4223046-A ROOT BEER BEVERAGE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-09-16 US disclosed
US-4173543-A COPPER OR ZINC CYSTINE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-06 US disclosed
US-4173711-A ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-11-06 US disclosed
US-4169073-A 3(2-Chloroalkyloxy)2 (10)-pinene perfumes compositions INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-09-25 US disclosed
US-4163068-A Flavoring with terpenyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1979-07-31 US disclosed
US-4131687-A Flavoring with terpenyl ethers INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-12-26 US disclosed