SCHEMBL28207061

SCHEMBL28207061

[CH2]C1CC(=O)c2cc(C)ccc2C1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.54
▸ METAP1 P53582 4/20 0.49
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ PARP10 Q53GL7 1/20 0.41
▸ MAOB P27338 8/20 0.40
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAOA P21397 1/20 0.37
▸ AADAT Q8N5Z0 1/20 0.36
▸ ELANE P08246 1/20 0.36

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
SCHEMBL12433394 0.80 ACHE (0.61) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL9221702 0.75 ACHE (0.50) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL25732101 0.75 CYP19A1 (0.53) ACHEMETAP1MAOBKMT2A
SCHEMBL7034883 0.71 KMT2A (0.52) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL30834248 0.71 KMT2A (0.52) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL354988 0.71 PBRM1 (0.59) ACHEMETAP1PARP1PARP10MAOB
SCHEMBL30465799 0.71 PBRM1 (0.59) ACHEMETAP1PARP1PARP10MAOB
SCHEMBL2481939 0.70 ACHE (1.00) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL29893908 0.70 ACHE (1.00) ACHEMETAP1HTR2AHTR2CHTR2B
SCHEMBL10031345 0.70 METAP1 (0.44) ACHEMETAP1PARP1PARP10MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107847624-A Indane derivatives for malodor counteraction 弗门尼舍有限公司 2018-03-27 — — CN disclosed
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