SCHEMBL9725561

SCHEMBL9725561

CC(O)[CH]Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 2/20 0.40
TYR P14679 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 1/20 0.38
AOC3 Q16853 1/20 0.38
ALOX15 P16050 1/20 0.38
APEX1 P27695 1/20 0.38

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
SCHEMBL7723280 0.78 ACHE (0.41) MAPTALDH1A1LMNACA1CA2
SCHEMBL7723242 0.78 CA1 (0.48) MAPTALDH1A1MAPK1HPGDCA1
SCHEMBL17024102 0.78 MAPT (0.48) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8400417 0.76 ALDH1A1 (0.40) MAPTALDH1A1NPC1LMNAMEN1
SCHEMBL1262500 0.75 LMNA (0.47) ALDH1A1LMNATSHR
SCHEMBL2546366 0.74 NR1H4 (0.46) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL17024114 0.73 LMNA (0.46) MAPTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL8140565 0.73 MAPT (0.48) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL7795835 0.72 MAPT (0.44) MAPTALDH1A1MAPK1NPC1HPGD
SCHEMBL3786415 0.71 MAPT (0.47) MAPTALDH1A1MAPK1NPC1HPGD

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-5151195-A Copolymer of acrylamide containing quarternary ammonium group PETROLITE CORPORATION (US) 1992-09-29 US disclosed
EP-0248519-A2 Flotation-aid composition and method of use thereof PETROLITE CORPORATION (US) 1987-12-09 EP disclosed