SCHEMBL8831381

SCHEMBL8831381

CC(=O)OC1CCCC2(C)[CH]CCC12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.36
▸ CHRM1 P11229 3/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ METAP2 P50579 1/20 0.34
▸ CYP19A1 P11511 9/20 0.33
▸ SLC18A3 Q16572 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP3A4 P08684 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
SCHEMBL14404998 0.75 CHRM2 (0.38) CHRM2CHRM1CHRM4CHRM3CYP19A1
SCHEMBL9009430 0.69 MEN1 (0.47) MEN1KMT2ACYP3A4
SCHEMBL9009451 0.69 MEN1 (0.47) MEN1KMT2ACYP3A4
SCHEMBL31267268 0.69 MEN1 (0.47) MEN1KMT2ACYP3A4
SCHEMBL10125299 0.69 MEN1 (0.47) MEN1KMT2ACYP3A4
SCHEMBL15978072 0.67 CHRM2 (0.40) CHRM2CHRM1CHRM4CHRM3METAP2
SCHEMBL13410550 0.67 CYP3A4 (0.46) CHRM2CHRM1CHRM4CHRM3MEN1
SCHEMBL7926060 0.67 CHRM2 (0.48) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL20995891 0.67 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3SLC18A3
SCHEMBL789252 0.67 CHRM2 (0.53) CHRM2CHRM1CHRM4CHRM3SLC18A3

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
US-5700791-A TREATMENT OF HYPERPROLIFERATIVE DISEASES OF THE SKIN SCHERING AKTIENGESELLSCHAFT (DE) 1997-12-23 — — US disclosed
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