SCHEMBL10456239

SCHEMBL10456239

CC(C)=CCCC1=CCC(C)(C=O)C(C)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.46
FNTA P49354 2/20 0.46
PKM P14618 1/20 0.46
PGGT1B P53609 1/20 0.46
MCL1 Q07820 12/20 0.41
BCL2L1 Q07817 5/20 0.41
FNTB P49356 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
BCL2 P10415 9/20 0.38
MAPT P10636 1/20 0.36

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
SCHEMBL7174967 0.84 MEN1 (0.45) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL7706265 0.81 MEN1 (0.50) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL13273469 0.72 MEN1 (0.38) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL230169 0.71 ALDH1A1 (0.40) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL20610531 0.71 ALDH1A1 (0.40) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL19296597 0.71 ALDH1A1 (0.40) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL17385233 0.70 FNTA (0.53) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL10357402 0.70 CYP3A4 (0.34)
SCHEMBL19994535 0.69 ALDH1A1 (0.39) MEN1KMT2AALDH1A1FNTAPKM
SCHEMBL30617255 0.69 MCL1 (0.44) MEN1KMT2AALDH1A1FNTAPKM

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
US-4909854-A Mixed with tricyclic ether INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1990-03-20 US disclosed
US-4782192-A PERFUMES, FLAVORS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-11-01 US disclosed
US-RE32721-E Bridged ketones and process for preparing same INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-07-26 US disclosed
US-4439354-A Tricyclic alcohols, ethers and esters, process for preparing same and use thereof in augmenting or enhancing the organoleptic properites of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-27 US disclosed
US-4368128-A Tricyclic alcohols, ethers and esters, process for preparing same and use thereof in augmenting or enhancing the organoleptic properties of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1983-01-11 US disclosed
US-4357360-A Use of tricyclic alcohols, ethers and esters for augmenting or enhancing the aroma or taste of foodstuffs INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-11-02 US disclosed
US-4328109-A 5,5-DIMETHYL-PERHYDRO-2,4A-METHANONAPHTHALENES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1982-05-04 US disclosed
US-4293453-A Process for using bridged ketones in augmenting or enhancing the organoleptic properties of consumable materials INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-10-06 US disclosed
US-4287081-A SUCH AS DETERGENTS INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-09-01 US disclosed
US-4285349-A CIGARETTES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-08-25 US disclosed
US-4250338-A A 2,4A-METHANONAPHTHALENE-1(5H)-ONE BY CYCLIZATION OF A TETRAHYDRO-2-TETRALINCARBOXALDEHYDE USING A MINERAL ACID; PERFUMES; TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1981-02-10 US disclosed