SCHEMBL9448688

SCHEMBL9448688

CC1CC(=Cc2ccc(O)c(O)c2)C(=O)C(=Cc2ccc(O)c(O)c2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
GAA P10253 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56
MAPT P10636 4/20 0.55
NPC1 O15118 3/20 0.55
MAPK1 P28482 3/20 0.55
RAB9A P51151 3/20 0.55
HTT P42858 2/20 0.55
HSP90AA1 P07900 1/20 0.55
EGFR P00533 1/20 0.53
MIF P14174 2/20 0.51
STK17B O94768 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ATM Q13315 2/20 0.50
CYP3A4 P08684 2/20 0.50
CES2 O00748 1/20 0.50
MITF O75030 1/20 0.50
NSD2 O96028 1/20 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
SCHEMBL31432755 1.00 MGAM (0.56) MGAMGAASIMGAM2MAPT
SCHEMBL9448690 0.81 MAPT (0.65) MGAMGAASIMGAM2MAPT
SCHEMBL9448683 0.81 MAPT (0.65) MGAMGAASIMGAM2MAPT
SCHEMBL3196452 0.81 MGAM (0.73) MGAMGAASIMGAM2MAPT
SCHEMBL31432741 0.80 MEN1 (0.53) GAAMAPTNPC1MAPK1RAB9A
SCHEMBL3260661 0.78 MGAM (0.60) MGAMGAASIMGAM2MAPT
SCHEMBL14259649 0.78 MGAM (0.85) MGAMGAASIMGAM2MAPT
SCHEMBL3260660 0.78 MGAM (0.60) MGAMGAASIMGAM2MAPT
SCHEMBL3259939 0.78 MGAM (0.85) MGAMGAASIMGAM2MAPT
SCHEMBL31432866 0.78 MGAM (0.60) MGAMGAASIMGAM2MAPT

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