SCHEMBL9423552

SCHEMBL9423552

CN(C)c1cc(C2(C)OCCO2)ccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
TSHR P16473 2/20 0.38
LMNA P02545 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HSD17B10 Q99714 2/20 0.36
PABPC1 P11940 1/20 0.36
GAA P10253 1/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
EP300 Q09472 1/20 0.33
KAT2B Q92831 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31

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
SCHEMBL3011055 0.76 ALDH1A1 (0.42) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL4588500 0.70 ESR2 (0.41) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL3015778 0.70 ALDH1A1 (0.51) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL5339706 0.68 OPRD1 (0.49) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL22530970 0.68 TSHR (0.36) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL30931900 0.68 TSHR (0.36) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL22613508 0.65 ALDH1A1 (0.45) TSHRLMNASMN1; SMN2MAPTALDH1A1
SCHEMBL9079910 0.65 ALDH1A1 (0.61) APPTSHRLMNASMN1; SMN2MAPT
SCHEMBL5617014 0.65 TSHR (0.48) TSHRLMNASMN1; SMN2MAPTMAPK1
SCHEMBL9423755 0.64 APP (0.40) APPLMNAMAPTALDH1A1MEN1

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-5308840-A Antioxidants, antiallergens and antiinflammatory agents GREEN CROSS CORPORATION (JP) 1994-05-03 US disclosed