SCHEMBL14035698

SCHEMBL14035698

C1CCC2C(C1)C1CC2C2CCCC21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
ALDH1A1 P00352 2/20 0.33
SGMS1 Q86VZ5 1/20 0.30
SGMS2 Q8NHU3 1/20 0.30
CA12 O43570 1/20 0.30
GMNN O75496 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
CA9 Q16790 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL6703968 0.96 HSD11B1 (0.37) HSD11B1ALDH1A1
SCHEMBL1593955 0.87 ALDH1A1 (0.42) ALDH1A1
SCHEMBL740132 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL4535728 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL51120 0.82 ALDH1A1 (0.46) ALDH1A1
SCHEMBL31055776 0.82 ALDH1A1 (0.33) ALDH1A1TDP1
SCHEMBL29316091 0.77 CHRM2 (0.32)
SCHEMBL7784951 0.77 CHRM2 (0.37)
SCHEMBL21727939 0.77
SCHEMBL13742449 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119505962-A Self-initiated high-power high-energy liquid fuel and preparation method thereof 中国人民解放军军事科学院系统工程研究院 2025-02-25 CN disclosed
CN-119193204-A High-energy liquid fuel system containing transition metal organic complex and preparation method thereof 中国人民解放军军事科学院系统工程研究院 2024-12-27 CN disclosed
WO-2022260124-A1 POLYESTER AND RESIN MOLDED ARTICLE ENEOS株式会社 2022-12-15 WO disclosed
US-7456247-B2 Phenolic resin formed from a difunctional phenol and a divinyl ether DAINIPPON INK AND CHEMICALS, INC. (JP) 2008-11-25 US disclosed