SCHEMBL9680841

SCHEMBL9680841

CCCOc1cc(C(=O)OC)cc(OCCC)c1OCCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 1/20 0.49
SLC6A5 Q9Y345 1/20 0.45
TSHR P16473 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL7997525 0.92 SLC6A5 (0.50) MAPTRAB9AMEN1KMT2ASLC6A5
SCHEMBL28591699 0.90 SMPD1 (0.51)
SCHEMBL31111470 0.89 SMPD1 (0.53)
SCHEMBL15726531 0.89 SMPD1 (0.53)
SCHEMBL14085627 0.89 SMPD1 (0.53)
SCHEMBL15731929 0.89 SMPD1 (0.53)
SCHEMBL3797840 0.89 SMPD1 (0.53)
SCHEMBL31481564 0.89 SMPD1 (0.53)
SCHEMBL2018917 0.89 SMPD1 (0.53)
SCHEMBL14664421 0.86 KMT2A (0.51) MAPTL3MBTL1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105566524-B A kind of catalytic component and its catalyst for ethylene polymerization 中国石油化工股份有限公司 2018-01-23 CN disclosed
CN-105482003-B Carrier and its catalyst used in a kind of ethylene rolymerization catalyst 中国石油化工股份有限公司 2018-01-23 CN disclosed
US-5106814-A Containing aromatic isocyanate, imino compound, trialkoxy benzoate; image stability, responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1992-04-21 US disclosed