SCHEMBL6820749

SCHEMBL6820749

C=CC(=O)OC1CCCCC1.C=CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
LMNA P02545 2/20 0.51
CYP2C19 P33261 1/20 0.51
MEN1 O00255 1/20 0.51
ELANE P08246 2/20 0.49
MAPT P10636 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL6820750 1.00 KMT2A (0.51) KMT2ALMNACYP2C19MEN1ELANE
SCHEMBL28216974 0.91 KMT2A (0.46) KMT2ALMNACYP2C19MEN1ELANE
SCHEMBL23532284 0.91 KMT2A (0.46) KMT2ALMNACYP2C19MEN1ELANE
SCHEMBL28294367 0.91 KMT2A (0.46) KMT2ALMNACYP2C19MEN1ELANE
SCHEMBL1185726 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT
SCHEMBL22902902 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT
SCHEMBL26704 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT
SCHEMBL21838264 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT
SCHEMBL16168302 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT
SCHEMBL9227026 0.91 CYP2C19 (0.59) KMT2ALMNACYP2C19ELANEMAPT

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
US-20180373142-A1 METHOD FOR GENERATIVE PRODUCTION OF RELIEF PRINTING PLATES BY MONOMER DIFFUSION THROUGH AN INTEGRAL MASK LAYER XSYS GERMANY GMBH (DE) 2018-12-27 US claimed
EP-1203029-B1 PROCESS FOR THE CONTINUOUS PRODUCTION OF GEL FREE POLYMERS, AND POWDER AND LIQUID COATING APPLICATIONS CONTAINING GEL FREE POLYMERS JOHNSON POLYMER INC (US) 2004-11-10 EP disclosed