SCHEMBL7033583

SCHEMBL7033583

COc1ccccc1-c1cc(OC(C)=O)ccc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.49
BACE1 P56817 3/20 0.48
ACHE P22303 1/20 0.48
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PKM P14618 1/20 0.45
LMNA P02545 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FPR1 P21462 2/20 0.45
MAPK1 P28482 1/20 0.44
ATP4A P20648 1/20 0.44
ATP4B P51164 1/20 0.44
HDAC4 P56524 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43

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
SCHEMBL11281941 0.82 HTR7 (0.58) HTR7ALDH1A1SMN1; SMN2MAPK1HDAC4
SCHEMBL26009120 0.79 ACHE (0.57) BACE1ACHELMNAMAPTALDH1A1
SCHEMBL16236644 0.79 KDM4E (0.53) BACE1AKR1C3AKR1C2LMNAMAPT
SCHEMBL8584051 0.78 BACE1 (0.57) BACE1LMNAMAPTALDH1A1TUBB4A
SCHEMBL7037049 0.78 GAPDH (0.52) HTR7BACE1ACHELMNAMAPT
SCHEMBL19685841 0.77 CYP3A4 (0.46) BACE1ACHEPKMLMNAMAPT
SCHEMBL6901954 0.76 PPARG (0.54) BACE1ACHEPKMLMNAMAPT
SCHEMBL180340 0.76 PPARG (0.47) BACE1ACHEPKMMAPTALDH1A1
SCHEMBL3326684 0.76 ACHE (0.53) BACE1ACHELMNAMAPTALDH1A1
SCHEMBL19084240 0.76 BACE1 (0.56) BACE1ACHELMNAMAPTALDH1A1

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
EP-0758243-B1 BINDING OF E-SELECTIN, P-SELECTIN OR L-SELECTIN TO SIALYL-LEWISx OR SIALYL-LEWISa TEXAS BIOTECHNOLOGY CORP (US) 2003-03-12 EP disclosed