SCHEMBL29037418

SCHEMBL29037418

CC(C)(C)C(COC(=O)O)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
TSHR P16473 3/20 0.35
EPHX1 P07099 1/20 0.34
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
MITF O75030 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 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
SCHEMBL26714629 0.77 SHBG (0.37) EPHX1EPHX2NPSR1LMNA
SCHEMBL16751863 0.76 ALOX15 (0.35) ADRB2ADRB1ADRB3TSHRCYP3A4
SCHEMBL3469918 0.74 ALDH1A1 (0.38) ALDH1A1TSHREPHX1CYP3A4MEN1
SCHEMBL11240771 0.73 ALDH1A1 (0.37) ALDH1A1TSHREPHX1CYP3A4MEN1
SCHEMBL13542996 0.72 SHBG (0.39) ALDH1A1EPHX1LMNA
SCHEMBL6438101 0.72 EPHX1 (0.33) ALDH1A1ADRB2ADRB1ADRB3TSHR
SCHEMBL28882370 0.70 CPN1 (0.36) TSHRCYP3A4SLC6A2ADRA1ASLC6A3
SCHEMBL28756408 0.70 CYP2C19 (0.41) ALDH1A1EPHX1LMNA
SCHEMBL28418304 0.70 SHBG (0.52) EPHX1LMNACYP1A2
SCHEMBL9186896 0.69 SHBG (0.39) EPHX1LMNA

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-117956968-A Thermosensitive composition and preparation method thereof 巴斯夫欧洲公司 2024-04-30 CN disclosed
CN-117769408-A Dual-phase cosmetic composition and use thereof 巴斯夫欧洲公司 2024-03-26 CN disclosed
CN-116806825-A Antimicrobial mixture 西姆莱斯股份公司 2023-09-29 CN disclosed
CN-113543637-B Antimicrobial mixture 西姆莱斯股份公司 2023-07-14 CN disclosed
CN-116367814-A Styling shampoo compositions 巴斯夫欧洲公司 2023-06-30 CN disclosed