SCHEMBL5963957

SCHEMBL5963957

CC(C)(C)C(=O)N1C(=O)C(O)C1c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 13/20 0.49
ELANE P08246 2/20 0.44
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
KIF11 P52732 1/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5963755 0.81 ELANE (0.42) RIPK1ELANESMN1; SMN2
SCHEMBL16237822 0.80 ELANE (0.44) RIPK1ELANE
SCHEMBL5963534 0.80 ELANE (0.44) RIPK1ELANE
SCHEMBL14050230 0.80 ELANE (0.44) RIPK1ELANE
SCHEMBL5963538 0.77 ELANE (0.51) ELANEKMT2ASMN1; SMN2KIF11MEN1
SCHEMBL7989628 0.77 ELANE (0.44) RIPK1ELANEKMT2ASMN1; SMN2KIF11
SCHEMBL5963531 0.77 ELANE (0.44) RIPK1ELANEKMT2ASMN1; SMN2KIF11
SCHEMBL9407814 0.77 KMT2A (0.43) RIPK1ELANEKMT2AHPGDMEN1
SCHEMBL8487905 0.77 KMT2A (0.43) RIPK1ELANEKMT2AHPGDMEN1
SCHEMBL9344671 0.77 KMT2A (0.43) RIPK1ELANEKMT2AHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0681568-B1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND BETA-LACTAM INTERMEDIATES THEREFOR UNIV NEW YORK STATE RES FOUND (US) 2006-07-26 EP disclosed
US-6218553-B1 METALLIZATION BY REACTING A BACCATIN III DERIVATIVE WITH A METAL ALKYLDISILAZIDE THE STATE UNIVERSITY OF NEW YORK AT STONY BROOK 2001-04-17 US disclosed
US-6187916-B1 Process for the preparation of taxane derivatives and β-lactam intermediates therefor RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK 2001-02-13 US disclosed
EP-0681568-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND $g(b)-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1995-11-15 EP disclosed
WO-1994018164-A1 PROCESS FOR PREPARATION OF TAXANE DERIVATIVES AND β-LACTAM INTERMEDIATES THEREFOR THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 1994-08-18 WO disclosed