SCHEMBL920198

SCHEMBL920198

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HTT P42858 2/20 0.33
RAD52 P43351 2/20 0.33
HTR1A P08908 1/20 0.33
EPHX2 P34913 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
CHRNA7 P36544 2/20 0.31
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
ALOX5AP P20292 1/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CASP2 P42575 1/20 0.31

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
SCHEMBL918692 0.88 CNR2 (0.34) GAANCOA3MEN1KMT2AHTT
SCHEMBL919469 0.73 ALDH1A1 (0.38) CYP2C9MEN1KMT2AHTTEPHX2
SCHEMBL920199 0.70 BRD4 (0.33)
SCHEMBL918694 0.68 MEN1 (0.35) MEN1KMT2AHTTSMN1; SMN2LMNA
SCHEMBL2719320 0.63 ALDH1A1 (0.38) CYP2C9TSHRHTTCHRNA7ALDH1A1
SCHEMBL11096265 0.59 ABL1 (0.58) GAAHTTSMN1; SMN2ALDH1A1LMNA
SCHEMBL13260230 0.59 MEN1 (0.59) GAANCOA3MEN1KMT2AHTT
SCHEMBL13554407 0.59 AAK1 (0.45) CYP2C9TSHRALDH1A1LMNA
SCHEMBL7046801 0.58 KDM1A (0.48) MEN1KMT2AHTTSMN1; SMN2CHRNA7
SCHEMBL9065006 0.58 SMN1; SMN2 (0.50) TSHRGAASMN1; SMN2ALDH1A1LMNA

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