SCHEMBL27737469

SCHEMBL27737469

Cc1ccc(OP(=O)(O)OCC2CC=CCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
MMP13 P45452 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTT P42858 1/20 0.33
SCN9A Q15858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL27758026 0.87 P2RY2 (0.38) SRCSMN1; SMN2MAPK1LMNACES2
SCHEMBL27737333 0.87 SRC (0.43) TSHRSRCSMN1; SMN2MAPK1LMNA
SCHEMBL3894233 0.82 LMNA (0.38) TSHRSMN1; SMN2MAPK1LMNAHTT
SCHEMBL779370 0.80 MEN1 (0.37) TSHRSMN1; SMN2MAPK1LMNAMMP13
SCHEMBL3894236 0.79 MAPK1 (0.36) TSHRSMN1; SMN2MAPK1LMNAHTT
SCHEMBL779371 0.77 MEN1 (0.37) TSHRSMN1; SMN2MAPK1LMNAMMP13
SCHEMBL779189 0.74 MAPK1 (0.38) TSHRSMN1; SMN2MAPK1LMNAHTT
SCHEMBL157866 0.73 TSHR (0.67) CYP3A4TSHRSRCLMNACES2
SCHEMBL777712 0.72 MAPK1 (0.37) TSHRSMN1; SMN2MAPK1LMNAHTT
SCHEMBL3881659 0.72 SMN1; SMN2 (0.39) TSHRSRCSMN1; SMN2MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101423533-A Phosphorus-containing bifunctional liquid alicyclic epoxy resins and preparation method thereof UNIV DALIAN TECH (CN) 2009-05-06 CN disclosed