SCHEMBL5408501

SCHEMBL5408501

CC[C](CC)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
CES2 O00748 1/20 0.54
CES1 P23141 1/20 0.54
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
PTPN1 P18031 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
KLKB1 P03952 1/20 0.50
KLK1 P06870 1/20 0.50
PRSS1 P07477 1/20 0.50
HDAC3 O15379 2/20 0.49

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
SCHEMBL5252498 0.81 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL1317943 0.79 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL30623333 0.79 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL6381436 0.79 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL27533294 0.78 PTGS1 (0.64) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL7440698 0.76 GAA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL7440691 0.76 GAA (0.53) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
Dimethylamine SCHEMBL8331497 0.75 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL397225 0.75 CES2 (0.60) ALDH1A1SMN1; SMN2NPC1RAB9ACES2
SCHEMBL2837486 0.74 CES2 (0.65) ALDH1A1SMN1; SMN2CES2CES1HPGD

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-7192684-B2 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-20 US disclosed
US-20040067436-A1 Polymerizable silicon-containing compound, manufacturing method, polymer, resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2004-04-08 US disclosed