SCHEMBL10380441

SCHEMBL10380441

CC(C)(C)[Si](OCC1(O)CCC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 1/20 0.35
HTT P42858 1/20 0.35
ABL1 P00519 1/20 0.33
OPRL1 P41146 1/20 0.31
CYP2C9 P11712 2/20 0.30
CYP2C19 P33261 2/20 0.30
NPC1 O15118 1/20 0.30
CYP1A2 P05177 1/20 0.30
RAB9A P51151 1/20 0.30
TP53 P04637 1/20 0.30
MDM2 Q00987 1/20 0.30
PTGS1 P23219 1/20 0.30
PTGS2 P35354 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
SCHEMBL2907725 0.94 SMYD2 (0.37) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL2144556 0.85 OPRL1 (0.36) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL2144559 0.85 OPRL1 (0.36) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL2144555 0.85 OPRL1 (0.36) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL19689304 0.82 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL10422986 0.82 SMYD2 (0.35) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL13328649 0.81 SMN1; SMN2 (0.39) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL2908644 0.81 SMN1; SMN2 (0.39) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL30563837 0.81 DGAT1 (0.38) SMYD2SMN1; SMN2CYP3A4HTTABL1
SCHEMBL15404596 0.80 OPRM1 (0.37) SMYD2SMN1; SMN2CYP3A4HTTABL1

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
WO-1990005730-A2 NOVEL CYCLOBUTANE DERIVATIVE AND PROCESS FOR PRODUCING SAME NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-05-31 WO disclosed
EP-0358154-A2 Novel cyclobutane derivative and process for producing same NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-03-14 EP disclosed