SCHEMBL10074040

SCHEMBL10074040

CCCCCCOC(=O)C1CCC(C2CCC(CCC)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.45
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PPARG P37231 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
PKM P14618 1/20 0.39
EPHX2 P34913 1/20 0.39
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10844414 1.00 NAAA (0.45) NAAAHTTMEN1KMT2APPARG
SCHEMBL10844419 1.00 NAAA (0.45) NAAAHTTMEN1KMT2APPARG
SCHEMBL10848341 0.98 NAAA (0.42) NAAAHTTMEN1KMT2APPARG
SCHEMBL10848348 0.98 NAAA (0.42) NAAAHTTMEN1KMT2APPARG
SCHEMBL10846172 0.94 HTT (0.47) NAAAHTTMEN1KMT2APPARG
SCHEMBL10073635 0.94 HTT (0.47) NAAAHTTMEN1KMT2APPARG
SCHEMBL10846176 0.94 HTT (0.47) NAAAHTTMEN1KMT2APPARG
SCHEMBL10844131 0.94 GAA (0.41) NAAAHTTMEN1KMT2AGAA
SCHEMBL10844137 0.94 GAA (0.41) NAAAHTTMEN1KMT2AGAA
SCHEMBL10480056 0.94 NAAA (0.47) NAAAHTTMEN1KMT2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2087067-B1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2012-06-27 EP disclosed
WO-2008061606-A1 CYCLOHEXYLENE REACTIVE MESOGENS AND THEIR APPLICATIONS MERCK PATENT GMBH (DE) 2008-05-29 WO disclosed