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Sugi Predict / Compounds / SCHEMBL2132399

SCHEMBL2132399

SCHEMBL2132399

CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2cc3c(cc21)-c1ccccc1C3(c1ccc(CCCOCC)cc1)c1ccc(CCCOCC)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ PDK2 Q15119 3/20 0.33
▸ GPR3 P46089 1/20 0.33
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ MMP2 P08253 2/20 0.31
▸ MMP9 P14780 2/20 0.31
▸ MMP8 P22894 2/20 0.31
▸ MMP13 P45452 2/20 0.31
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL13046299 0.96 MEN1 (0.32) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL801249 0.88 CNR1 (0.34) MEN1KMT2ALMNASMN1; SMN2USP2
SCHEMBL801269 0.87 NPC1 (0.32) SMN1; SMN2
SCHEMBL17248029 0.87 NPC1 (0.32) SMN1; SMN2
SCHEMBL13045711 0.85 — —
SCHEMBL4453050 0.82 KDM4E (0.46) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL13045609 0.82 — —
SCHEMBL134085 0.80 MEN1 (0.40) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL13047010 0.80 — —
SCHEMBL5148245 0.77 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 — — US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 — — US disclosed
US-9175132-B2 Polymers comprising structural units which contain alkylalkoxy groups, blends comprising these polymers, and opto-electronic devices comprising these polymers and blends MERCK PATENT GMBH (DE) 2015-11-03 — — US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
US-20120097938-A1 POLYMERS COMPRISING STRUCTURAL UNITS WHICH CONTAIN ALKYLALKOXY GROUPS, BLENDS COMPRISING THESE POLYMERS, AND OPTO-ELECTRONIC DEVICES COMPRISING THESE POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2012-04-26 — — US disclosed
WO-2010149261-A1 POLYMERS CONTAINING STRUCTURAL UNITS THAT COMPRISE ALKYL ALKOXY GROUPS, BLENDS CONTAINING SAID POLYMERS, AND OPTOELECTRONIC DEVICES CONTAINING SAID POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2010-12-29 — — WO disclosed
WO-2010149261-A1 POLYMERS CONTAINING STRUCTURAL UNITS THAT COMPRISE ALKYL ALKOXY GROUPS, BLENDS CONTAINING SAID POLYMERS, AND OPTOELECTRONIC DEVICES CONTAINING SAID POLYMERS AND BLENDS MERCK PATENT GMBH (DE) 2010-12-29 — — WO disclosed