SCHEMBL918692

SCHEMBL918692

CCOC(COc1ccc(-c2ccc(-c3cccc(-c4ccc(-c5ccc(OCC(OCC)C67CC8CC(CC(C8)C6)C7)cc5)cc4)c3-c3ccc(-c4ccc(OCC(OCC)C56CC7CC(CC(C7)C5)C6)cc4)cc3)cc2)cc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GAA P10253 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
HTT P42858 2/20 0.32
RAD52 P43351 2/20 0.32
EPHX2 P34913 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
CHRNA7 P36544 2/20 0.31
FFAR4 Q5NUL3 1/20 0.30
VDR P11473 1/20 0.30
CASP2 P42575 1/20 0.30
ALOX5AP P20292 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
SCHEMBL920198 0.88 CYP2C9 (0.34) CNR2MEN1KMT2AGAANCOA3
SCHEMBL919469 0.72 ALDH1A1 (0.38) MEN1KMT2AHTTEPHX2SMN1; SMN2
SCHEMBL920199 0.71 BRD4 (0.33)
SCHEMBL918694 0.69 MEN1 (0.35) MEN1KMT2AHTTSMN1; SMN2
SCHEMBL20540226 0.64 PTPN1 (0.32) GAASMN1; SMN2CHRNA7FFAR4
SCHEMBL20539857 0.64 PDCD1 (0.38) GAASMN1; SMN2CHRNA7
SCHEMBL9065006 0.62 SMN1; SMN2 (0.50) GAASMN1; SMN2
SCHEMBL16519363 0.62 NQO1 (0.46) HTT
SCHEMBL32930869 0.62 SMN1; SMN2 (0.47) KMT2AGAASMN1; SMN2FFAR4
SCHEMBL1602489 0.60 RAB9A (0.47) HTTSMN1; SMN2CHRNA7

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-7871755-B2 Photosensitive composition KABUSHIKI KAISHA TOSHIBA (JP) 2011-01-18 US disclosed
US-20090081582-A1 irradiating a predetermined region of photosensitive layer, subjecting the photosensitive layer after baking to development treatment with an alkali aqueous solution to selectively remove the light-exposed part; has a photo-acid generator which generates an acid by the action of actinic radiation KABUSHIKI KAISHA TOSHIBA 2009-03-26 US disclosed