SCHEMBL29400100

SCHEMBL29400100

C=C1CC(OC(C)=O)CC2C=CCC12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
NSD2 O96028 1/20 0.33
HK1 P19367 1/20 0.33
HKDC1 Q2TB90 1/20 0.33
USP2 O75604 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP17A1 P05093 1/20 0.30
DPP4 P27487 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29402953 0.71 USP2 (0.40) TSHRALOX15NSD2HK1HKDC1
SCHEMBL30913005 0.71 CHRM2 (0.36) USP2CYP3A4DPP4KMT2A
SCHEMBL29210945 0.69 ALOX15 (0.38) TSHRALOX15NSD2HK1HKDC1
SCHEMBL1568850 0.68 DHCR24 (0.33) TSHRALOX15CYP3A4DPP4KMT2A
SCHEMBL13723264 0.68 CYP3A4 (0.33) USP2CYP3A4CYP17A1DPP4
SCHEMBL30459798 0.65 CHRM2 (0.35) TSHRALOX15KMT2A
SCHEMBL9146956 0.65
SCHEMBL880204 0.64
SCHEMBL8654077 0.64 CYP3A4 (0.35) TSHRALOX15CYP3A4CYP17A1DPP4
SCHEMBL18300022 0.63 CHRM2 (0.39) TSHRALOX15CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114846002-A Substituted 4-methylene-tetrahydropyrans, 4-methyl-dihydropyrans and 4-methyl-tetrahydropyrans and their use as fragrance chemicals 巴斯夫欧洲公司 2022-08-02 CN disclosed
CN-114829329-A 2, 4-Diethylocta-2, 6-dienal and its use as fragrance chemical 巴斯夫欧洲公司 2022-07-29 CN disclosed
CN-114828655-A Docosadiene-1-ols and dodecen-1-ols or mixtures thereof as fragrance chemicals 巴斯夫欧洲公司 2022-07-29 CN disclosed
CN-114096234-A Method for producing microparticles loaded with volatile organic active 巴斯夫欧洲公司 2022-02-25 CN disclosed
CN-114080380-A 2- (2,4, 5-trimethylcyclohex-2-en-1-yl) acetaldehyde and derivatives and their use as fragrance chemicals 巴斯夫欧洲公司 2022-02-22 CN disclosed