SCHEMBL19984802

SCHEMBL19984802

CON1C(C)(C)CC(OC(=O)CCCCCCCCC=O)CC1(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
EPHX2 P34913 4/20 0.33
TSHR P16473 2/20 0.32
ESR1 P03372 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7471002 0.90 NAAA (0.45) NAAAALDH1A1LMNAKMT2AMEN1
SCHEMBL18468309 0.86 NAAA (0.40) NAAAALDH1A1LMNAKMT2AMEN1
SCHEMBL15006359 0.86 NAAA (0.40) NAAAALDH1A1LMNAKMT2AMEN1
SCHEMBL18808196 0.85 NAAA (0.39) NAAAALDH1A1LMNAKMT2AMEN1
SCHEMBL10160236 0.85 NAAA (0.55) NAAALMNAKMT2AMEN1GAA
SCHEMBL9335228 0.85 NAAA (0.41) NAAAALDH1A1LMNAKMT2AMEN1
SCHEMBL14706866 0.83 NAAA (0.45) NAAAEPHX2TSHR
SCHEMBL7476147 0.83 TSHR (0.39) NAAAALDH1A1KMT2AMEN1GAA
SCHEMBL13554368 0.83 NAAA (0.39) NAAAALDH1A1KMT2AMEN1GAA
SCHEMBL9371032 0.83 KMT2A (0.40) NAAAALDH1A1KMT2AMEN1GAA

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-2997109-B1 LIQUID CRYSTALLINE MEDIUM AND LIQUID CRYSTAL DEVICE MERCK PATENT GMBH (DE) 2018-03-21 EP disclosed