SCHEMBL21436768

SCHEMBL21436768

C=CC(=O)OCC(O)COc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
MAPT P10636 3/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABCB1 P08183 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL14173310 0.88 CYP1A2 (0.50) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL818941 0.88 CYP1A2 (0.50) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL2128155 0.88 CYP1A2 (0.50) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL13816877 0.86 CYP1A2 (0.44) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL2127664 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL819190 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL10609343 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL819519 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL14173321 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1
SCHEMBL19583192 0.85 CYP1A2 (0.48) CYP1A2MAPTPOLBLMNANPSR1

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
WO-2019194402-A1 CARDO-BASED BINDER RESIN, PHOTOSENSITIVE RESIN COMPOSITION COMPRISING SAME, BLACK MATRIX, COLOR FILTER, AND DISPLAY DEVICE 주식회사 엘지화학 2019-10-10 WO disclosed