SCHEMBL4458950

SCHEMBL4458950

CCC(=O)/C=C/CC1CC=C(C)C1(C)C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
ALOX15 P16050 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
USP2 O75604 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
IAPP P10997 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
SCHEMBL4458952 1.00 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL2707257 0.84 NPSR1 (0.35) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL2706119 0.84 NPSR1 (0.35) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL2706115 0.84 NPSR1 (0.35) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL2707781 0.82 TTR (0.40) ALDH1A1CYP3A4USP2NPSR1
SCHEMBL2707782 0.82 TTR (0.40) ALDH1A1CYP3A4USP2NPSR1
SCHEMBL4201125 0.81 SLC6A19 (0.33) ALDH1A1USP2NPSR1
SCHEMBL16558640 0.78 USP2 (0.33) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL9543371 0.78 USP2 (0.33) ALDH1A1CYP3A4ALOX15TDP1USP2
SCHEMBL16558628 0.78 USP2 (0.33) ALDH1A1CYP3A4ALOX15TDP1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094634-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM -CAMPHOLENIC ALDEHYDE Millennium Specialty Chemicals, Inc. (US) 2009-09-02 EP disclosed
WO-2008066602-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM α-CAMPHOLENIC ALDEHYDE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2008-06-05 WO disclosed
WO-2008066602-A2 PROCESS FOR MAKING INTERMEDIATES FOR FRAGRANCE COMPONENTS FROM α-CAMPHOLENIC ALDEHYDE MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2008-06-05 WO disclosed
US-7262329-B1 reacting 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde with methyl ethyl ketone in the presence of aqueous alkali or alkaline earth metal hydroxide solutions, to form mixtures comprising a ketol and ketone; stereospecific aldol condensation; two-step; efficiency MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-08-28 US disclosed
US-7262329-B1 reacting 2-(2,2,3-trimethyl-1-cyclopent-3-enyl)acetaldehyde with methyl ethyl ketone in the presence of aqueous alkali or alkaline earth metal hydroxide solutions, to form mixtures comprising a ketol and ketone; stereospecific aldol condensation; two-step; efficiency MILLENNIUM SPECIALTY CHEMICALS, INC. (US) 2007-08-28 US disclosed
US-4696766-A FRAGRANCES GIVAUDAN CORPORATION (US) 1987-09-29 US disclosed
US-4052341-A 3-METHYL-5-(2,2,3-TRIMETHYLCYCLOPENT-3-EN-1-YL)PENTAN-2-OL COMPOUND AND PERFUME COMPOSITIONS GIVAUDAN CORPORATION (US) 1977-10-04 US disclosed