SCHEMBL8660690

SCHEMBL8660690

C[C@@H](C(=O)O)c1cccc(NC(=O)OC(C)(C)C)c1OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
CXCL8 P10145 1/20 0.40
ELANE P08246 1/20 0.39
RXFP1 Q9HBX9 1/20 0.38
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
BRD9 Q9H8M2 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PPARG P37231 3/20 0.36
PPARA Q07869 3/20 0.36
PPARD Q03181 2/20 0.36

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
SCHEMBL8659862 0.84 KMT2A (0.38) KMT2AELANEPRMT5WDR77BRD9
SCHEMBL8837511 0.83 CXCL8 (0.49) CXCL8ELANERXFP1BRD9
SCHEMBL1951665 0.83 CXCL8 (0.49) CXCL8ELANERXFP1BRD9
SCHEMBL1951582 0.83 CXCL8 (0.49) CXCL8ELANERXFP1BRD9
SCHEMBL8662469 0.82 RAB9A (0.51) KMT2AELANEALDH1A1TDP1
SCHEMBL8661782 0.80 MAPK8 (0.47) KMT2AALDH1A1
SCHEMBL8664717 0.79 CXCL8 (0.43) CXCL8ELANERXFP1BRD9
SCHEMBL8660694 0.76 NPSR1 (0.48) KMT2AELANERXFP1BRD9ALDH1A1
SCHEMBL8214432 0.75 IDO1 (0.43) CXCL8ELANERXFP1BRD9
SCHEMBL8462214 0.74 PTGS1 (0.43) KMT2ACXCL8ELANERXFP1PTGS1

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