SCHEMBL19497307

SCHEMBL19497307

CCC(=O)OCCCCOC(=O)C1CCC(C(C)CC)CC1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.45
▸ HTT P42858 1/20 0.35
▸ PPM1B O75688 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ PPP1CC P36873 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL12205339 0.83 TSHR (0.48) HTTMAPT
SCHEMBL21884810 0.83 TSHR (0.46) MAPT
SCHEMBL24992573 0.80 NAAA (0.52) NAAAHTTPPM1BPTPN1PPP1CC
SCHEMBL16552322 0.77 GAA (0.42) —
SCHEMBL27524359 0.76 NAAA (0.47) NAAAHTTHTR2CEPHX2
SCHEMBL21475280 0.76 NAAA (0.51) NAAAHTTPPM1BPTPN1PPP1CC
SCHEMBL24370554 0.76 NAAA (0.47) NAAAHTTHTR2CEPHX2
SCHEMBL17049674 0.75 ALDH1A1 (0.41) NAAAPPM1BPTPN1PPP1CCMAPT
SCHEMBL12584054 0.75 ALDH1A1 (0.41) NAAAPPM1BPTPN1PPP1CCMAPT
SCHEMBL26364923 0.75 NAAA (0.59) NAAAHTR2CEPHX2

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
EP-2837671-B1 Liquid crystalline medium MERCK PATENT GMBH (DE) 2017-10-25 — — EP disclosed
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