SCHEMBL11356552

SCHEMBL11356552

CC(OC(=O)Nc1ccccc1)C1CO1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
MAPT P10636 1/20 0.43
EPHX2 P34913 1/20 0.43
CASP7 P55210 1/20 0.43
CASP9 P55211 1/20 0.43
CASP6 P55212 1/20 0.43
CASP8 Q14790 1/20 0.43
GRM5 P41594 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
RAB9A P51151 2/20 0.42
MC4R P32245 1/20 0.42
ALOX15 P16050 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
SCHEMBL27775413 0.82 SLC6A2 (0.47) MEN1KMT2AMAPK1ALDH1A1CYP2D6
SCHEMBL10891239 0.79 CASP3 (0.55) CASP3MEN1KMT2AMAPTEPHX2
SCHEMBL6359887 0.78 TSHR (0.50) MAPTSMN1; SMN2LMNAALDH1A1NPC1
SCHEMBL14081825 0.78 TSHR (0.50) MAPTSMN1; SMN2LMNAALDH1A1NPC1
Propham SCHEMBL67344 0.77 SMN1; SMN2 (0.66) CASP3MEN1KMT2AMAPTEPHX2
Propham SCHEMBL8536412 0.77 SMN1; SMN2 (0.66) CASP3MEN1KMT2AMAPTEPHX2
Propham SCHEMBL28077800 0.75 SMN1; SMN2 (0.64) CASP3MEN1KMT2AMAPTEPHX2
SCHEMBL11358778 0.75 SMN1; SMN2 (0.50) CASP3MEN1KMT2AMAPTEPHX2
SCHEMBL910267 0.74 CASP3 (0.53) CASP3MEN1KMT2AMAPTEPHX2
SCHEMBL1032817 0.74 CASP3 (0.53) CASP3MEN1KMT2AMAPTEPHX2

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-4252716-A BLUE SHADES BAYER AKTIENGESELLSCHAFT (DE) 1981-02-24 US disclosed