SCHEMBL2768944

SCHEMBL2768944

COC1=C(OC)C(O)(OC)CC(C=CC(=O)c2ccccc2)=C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
BCHE P06276 4/20 0.45
CYP3A4 P08684 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MAOB P27338 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TNFRSF1A P19438 2/20 0.42
CYP1B1 Q16678 2/20 0.42
MEN1 O00255 1/20 0.42
HSPD1 P10809 1/20 0.42
HSPE1 P61604 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41

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
SCHEMBL27534182 0.73 BCHE (0.48) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL28281346 0.68 MAPT (0.44) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL3638953 0.65 MAPT (0.45) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL3638952 0.65 MAPT (0.45) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL6364835 0.65 MAPT (0.47) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL6534548 0.64 MAPT (0.43) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL8146123 0.64 MAPT (0.59) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL31338643 0.63 NPC1 (0.36) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL979720 0.63 ABCG2 (0.87) MAPTBCHECYP3A4NPC1RAB9A
SCHEMBL1723179 0.63 MAPT (1.00) MAPTBCHECYP3A4NPC1RAB9A

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-0888303-B1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD PHARMA INC (US) 2010-04-21 EP disclosed
EP-0888303-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1999-01-07 EP disclosed
WO-1997031898-A1 SYNTHETIC DERIVATIVES OF RAPAMYCIN AS MULTIMERIZING AGENTS FOR CHIMERIC PROTEINS WITH IMMUNOPHILIN-DERIVED DOMAINS ARIAD GENE THERAPEUTICS, INC. (US) 1997-09-04 WO disclosed