SCHEMBL8660697

SCHEMBL8660697

CC(C)(C)OC(=O)NC[C@H](C(=O)O)c1ccccc1OC(=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.44
PPARG P37231 5/20 0.44
PPARD Q03181 2/20 0.44
SYK P43405 1/20 0.43
SLC6A3 Q01959 1/20 0.43
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.39
SERPINE1 P05121 1/20 0.38
CTSK P43235 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
CTSS P25774 1/20 0.38
ITGAV P06756 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL30771240 0.88 DRD2 (0.47) SYKKMT2ACTSKNPSR1ATM
SCHEMBL8659855 0.85 SYK (0.40) PPARAPPARGPPARDSYKSLC6A3
SCHEMBL8661115 0.85 SYK (0.40) PPARAPPARGPPARDSYKSLC6A3
SCHEMBL7269716 0.81 SYK (0.47) PPARAPPARGSYKKMT2ASERPINE1
SCHEMBL2942816 0.81 SYK (0.47) PPARAPPARGSYKKMT2ASERPINE1
SCHEMBL8662472 0.81 KMT2A (0.48) PPARAPPARGSYKSLC6A3MAPT
SCHEMBL7348313 0.78 CTSS (0.47) SYKKMT2AEPHX2CTSKATM
SCHEMBL8661789 0.78 RAB9A (0.44) SLC6A3MAPTKMT2ASMN1; SMN2ALDH1A1
SCHEMBL266021 0.78 CTSK (0.51) PPARAPPARGSYKMAPTKMT2A
SCHEMBL118384 0.78 CTSK (0.51) PPARAPPARGSYKMAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5760251-A Taxol process and compounds SEPRACOR, INC. (US) 1998-06-02 US disclosed
WO-1997007110-A1 PROCESS FOR PRODUCING TAXOL DERIVATIVES AND INTERMEDIATES THEREFOR SEPRACOR, INC. (US) 1997-02-27 WO disclosed