SCHEMBL2769998

SCHEMBL2769998

CC(C)(C)OC(=O)COc1cccc(CCCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 5/20 0.55
PPARG P37231 3/20 0.55
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GAA P10253 1/20 0.46
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
PTGIR P43119 2/20 0.45
PTPN1 P18031 1/20 0.45
MAPT P10636 2/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL7110156 0.90 PPARA (0.55) PPARAPPARGPSEN1PSEN2APH1B
SCHEMBL7421105 0.86 CYP4F2 (0.52) PPARAPPARGMEN1KMT2AGAA
SCHEMBL2769640 0.86 MTNR1A (0.50) PPARAPPARGKMT2AGAAMAPT
SCHEMBL2789633 0.86 PPARA (0.49) PPARAPPARG
SCHEMBL7643204 0.85 ACHE (0.52) PPARAPPARGMEN1KMT2AGAA
SCHEMBL2768428 0.85 PPARA (0.48) PPARAPPARGKMT2AMAPTCYP2C9
SCHEMBL5472921 0.84 PLA2G4B (0.57) PPARAPPARGPSEN1PSEN2APH1B
SCHEMBL29642028 0.83 TSHR (0.49) PPARAPPARGGAAPSEN1PSEN2
SCHEMBL6216172 0.83 TSHR (0.49) PPARAPPARGGAAPSEN1PSEN2
SCHEMBL8521889 0.83 CALM1 (0.52) PPARAPPARGGAAHPGD

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-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