SCHEMBL12416580

SCHEMBL12416580

C=C(C)C(=O)OCC(O)COc1ccc2ccccc2c1-c1c(OCC(O)COC(=O)C(=C)C)ccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 5/20 0.45
CYP1A2 P05177 5/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
PTGS2 P35354 3/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
CYP2D6 P10635 3/20 0.41
SLC6A4 P31645 3/20 0.41
HTR2B P41595 3/20 0.41
SIGMAR1 Q99720 3/20 0.41
ALDH1A1 P00352 2/20 0.41
ADRB3 P13945 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
SCN1A P35498 2/20 0.41

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
SCHEMBL997629 0.89 NR2E1 (0.44) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL9321779 0.88 NR2E1 (0.60) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL2510951 0.88 ALDH1A1 (0.40) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL18234056 0.87 NR2E1 (0.49) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL19226345 0.83 CYP1A2 (0.48) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL10398142 0.82 MAPT (0.44) KDM4EPTGS2ADRB2ADRB1ALDH1A1
SCHEMBL25003529 0.82 MAPT (0.38) NR2E1CYP1A2LMNASMN1; SMN2ABCB1
SCHEMBL10490256 0.81 LMNA (0.44) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL14069188 0.81 CYP1A2 (0.44) NR2E1CYP1A2LMNASMN1; SMN2KDM4E
SCHEMBL30178735 0.81 RAB9A (0.51) LMNASMN1; SMN2KDM4EMEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 US disclosed
US-20110171609-A1 Dental Composition Comprising Biphenyl Di(meth)acrylate Monomer 3M INNOVATIVE PROPERTIES COMPANY 2011-07-14 US disclosed
WO-2010027676-A2 DENTAL COMPOSITION COMPRISING BIPHENYL DI(METH)ACRYLATE MONOMER 3M INNOVATIVE PROPERTIES COMPANY (US) 2010-03-11 WO disclosed