SCHEMBL20964385

SCHEMBL20964385

CC(C)(C)CC(C(=O)OCC(O)COc1ccccc1)C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 3/20 0.44
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DPP4 P27487 1/20 0.43
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19017800 0.82 THRB (0.48) MEN1KMT2ALMNAMAPTPOLB
SCHEMBL9976802 0.79 CYP2D6 (0.63) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL17991060 0.79 CYP2D6 (0.55) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL14822989 0.78 LMNA (0.58) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL6351413 0.76 MAPT (0.57) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL24276473 0.76 LMNA (0.47) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL12889011 0.75 CYP2D6 (0.51) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL24951262 0.75 KDM4E (0.40) MEN1KMT2ALMNAKDM4E
SCHEMBL12889012 0.74 LMNA (0.53) CYP2D6MEN1KMT2ALMNAADRB2
SCHEMBL10069694 0.74 ALDH1A1 (0.51) KMT2ALMNASMN1; SMN2

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-20190127599-A1 DISPERSION OF IR ABSORPTION PARTICLES, INKJET INK, AND METHOD OF 3D PRINTING INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-05-02 US disclosed