SCHEMBL11678968

SCHEMBL11678968

CCOC(=O)C(C)c1cnc(C2CCCCC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CSNK1D P48730 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ ABL1 P00519 1/20 0.34
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PSMB8 P28062 1/20 0.34
▸ PSMB9 P28065 1/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KMO O15229 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL11678789 0.99 CSNK1D (0.37) ALDH1A1HPGDKDM4ECSNK1DTSHR
SCHEMBL11684120 0.82 KMO (0.41) KDM4EABL1PTGDR2JAK2JAK1
SCHEMBL11678123 0.81 ABL1 (0.37) KDM4EABL1JAK2JAK1JAK3
SCHEMBL11679862 0.81 ALDH1A1 (0.37) ALDH1A1HPGDKDM4ECSNK1DTSHR
SCHEMBL11678400 0.80 KMO (0.39) KDM4EABL1JAK2JAK1JAK3
SCHEMBL11679987 0.79 ABL1 (0.35) KDM4EABL1JAK2JAK1JAK3
SCHEMBL11679573 0.79 CSNK1D (0.36) ALDH1A1HPGDKDM4ECSNK1DTSHR
SCHEMBL11679409 0.73 ABL1 (0.36) ALDH1A1HPGDCSNK1DTSHRABL1
SCHEMBL30730344 0.72 ALDH1A1 (0.43) ALDH1A1HPGDKDM4ETSHRMEN1
SCHEMBL11679544 0.72 KDM4E (0.40) ALDH1A1HPGDKDM4ECSNK1DTSHR

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-4046763-A INTERMEDIATE FOR ULTRAVIOLET LIGHT ABSORBERS MCNEIL LABORATORIES, INCORPORATED (US) 1977-09-06 — — US disclosed
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