SCHEMBL11515674

SCHEMBL11515674

O=C(OCCO)C1C2C=CC(C2)C1C(=O)OCCO

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
TSHR P16473 2/20 0.33
USP2 O75604 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
RAB9A P51151 1/20 0.32
APEX1 P27695 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PPM1B O75688 1/20 0.31
PTPN1 P18031 1/20 0.31
PPP1CC P36873 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL7647029 0.93 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL3294066 0.88 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL1088452 0.88 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL3291893 0.88 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL3292439 0.85 POLB (0.43) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL7644514 0.83 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL1451666 0.82 POLB (0.54) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL7908352 0.82 ALDH1A1 (0.68) ALDH1A1POLBSMN1; SMN2HTTLMNA
SCHEMBL7643256 0.82 POLB (0.59) ALDH1A1POLBSMN1; SMN2LMNACA1
SCHEMBL13897070 0.81 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTTLMNA

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
US-4157261-A PHOTOINITIATOR, CHLORINATED POLYOLEFIN BINDER FUJI PHOTO FILM CO., LTD. (JP) 1979-06-05 US disclosed