SCHEMBL28660740

SCHEMBL28660740

C[C]1C=Cc2cc(C)ccc21.[LiH]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CYP2A6 P11509 3/20 0.36
CYP1A2 P05177 2/20 0.36
ELANE P08246 1/20 0.35
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 5/20 0.32
TP53 P04637 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPA1 O75762 1/20 0.32
ACHE P22303 3/20 0.32
ALDH1A1 P00352 1/20 0.31
METAP1 P53582 1/20 0.31

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
SCHEMBL22616873 0.98 MAOA (0.38) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL28666655 0.95 MAOA (0.37) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL28947796 0.91 CA1 (0.35) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL28662627 0.89 MAOA (0.33) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL28676388 0.81 MAOA (0.37) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL11858854 0.74 S100A4 (0.50) MAOAMAOBELANECA1CA2
SCHEMBL28675744 0.74 MEN1 (0.33) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL4611979 0.73 MAOA (0.34) MAOAMAOBCYP2A6CYP1A2ELANE
SCHEMBL16900338 0.71 PTPRC (0.53) MAOAMAOBELANECA1CA2
SCHEMBL28680694 0.71 MAOA (0.33) MAOAMAOBCYP2A6CYP1A2ELANE

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-117050220-A Bimodal poly (ethylene-co-1-olefin) copolymers 陶氏环球技术有限责任公司 2023-11-14 CN disclosed
CN-113748140-A Metal-ligand complexes 陶氏环球技术有限责任公司 2021-12-03 CN disclosed
CN-113728020-A Bimodal poly (ethylene-co-1-olefin) copolymers 陶氏环球技术有限责任公司 2021-11-30 CN disclosed
CN-113677716-A Bimodal poly (ethylene-co-1-olefin) copolymers 陶氏环球技术有限责任公司 2021-11-19 CN disclosed