SCHEMBL9448683

SCHEMBL9448683

CC1C/C(=C/c2ccc(O)cc2)C(=O)/C(=C/c2ccc(O)cc2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.65
NPC1 O15118 4/20 0.65
RAB9A P51151 4/20 0.65
MAPK1 P28482 3/20 0.65
HTT P42858 3/20 0.65
HSP90AA1 P07900 1/20 0.65
CYP2C9 P11712 2/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
F3 P13726 1/20 0.61
HSD11B1 P28845 1/20 0.61
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
LMNA P02545 4/20 0.54
MITF O75030 1/20 0.54
NSD2 O96028 1/20 0.54
ATM Q13315 1/20 0.54
KMT2A Q03164 5/20 0.50

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
SCHEMBL9448690 1.00 MAPT (0.65) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL9006623 0.84 MAPT (0.48) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL9006627 0.84 MAPT (0.48) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL15436912 0.84 MAPT (0.67) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL10977635 0.82 MAPT (0.65) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL21028263 0.82 MAPT (0.65) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL17899528 0.82 MAPT (0.65) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL10977632 0.82 MAPT (0.65) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL14012043 0.81 MAPT (0.69) MAPTNPC1RAB9AMAPK1HTT
SCHEMBL16807421 0.81 MAPT (0.69) MAPTNPC1RAB9AMAPK1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528975-A4 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES 1993-09-15 EP claimed
EP-0528975-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1993-03-03 EP claimed
WO-1991017749-A1 GROWTH INHIBITORS AND METHODS OF TREATING CANCER AND CELL PROLIFERATIVE DISEASES BAYLOR COLLEGE OF MEDICINE (US) 1991-11-28 WO claimed