SCHEMBL11244683

SCHEMBL11244683

COc1ccc(C(=O)c2ccccc2F)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 1/20 0.51
CDC25B P30305 1/20 0.47
MAPT P10636 5/20 0.46
RAB9A P51151 3/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KAT6A Q92794 1/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
HTT P42858 1/20 0.42
ALOX15 P16050 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL10663306 0.88 MAPT (0.50) SMN1; SMN2NPC1KMT2APOLBCDC25B
SCHEMBL11427275 0.85 MAPT (0.48) SMN1; SMN2NPC1CDC25BMAPTRAB9A
SCHEMBL11045406 0.81 KMT2A (0.48) SMN1; SMN2NPC1KMT2APOLBCDC25B
SCHEMBL10567455 0.80 SMN1; SMN2 (0.54) SMN1; SMN2NPC1KMT2APOLBCDC25B
SCHEMBL11247014 0.79 CES2 (0.47) SMN1; SMN2KMT2APOLBMAPTRAB9A
SCHEMBL613121 0.79 MAPT (0.66) SMN1; SMN2KMT2ACDC25BMAPTRAB9A
SCHEMBL11049604 0.78 MAPT (0.49) SMN1; SMN2NPC1KMT2APOLBCDC25B
SCHEMBL10661825 0.78 MAPT (0.52) SMN1; SMN2NPC1KMT2APOLBCDC25B
SCHEMBL15100552 0.78 NPC1 (0.46) SMN1; SMN2NPC1KMT2APOLBMAPT
SCHEMBL4935615 0.77 NPC1 (0.60) SMN1; SMN2NPC1KMT2APOLBMAPT

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
US-4337261-A (1,2-Benzisoxazol)phenoxyacetic acids as diuretics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1982-06-29 US disclosed
EP-0045078-A1 (1,2-Benzisoxazol)phenoxyacetic acids and related compounds HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-03 EP disclosed