SCHEMBL5963538

SCHEMBL5963538

COC(=O)N1C(=O)[C@H](O)[C@@H]1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.51
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ABCB1 P08183 1/20 0.40
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
KIF11 P52732 1/20 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
SCHEMBL5964257 0.84 KDM4E (0.48) ELANEMEN1KMT2APOLBALDH1A1
SCHEMBL16237822 0.83 ELANE (0.44) ELANEABCB1
SCHEMBL14050230 0.83 ELANE (0.44) ELANEABCB1
SCHEMBL5963534 0.83 ELANE (0.44) ELANEABCB1
SCHEMBL5963886 0.83 ELANE (0.43) ELANEMEN1KMT2AABCB1SMN1; SMN2
SCHEMBL5963519 0.79 PSEN1 (0.45) ELANESMN1; SMN2PSEN1PSEN2APH1B
SCHEMBL5963244 0.79 BCHE (0.44) ELANEMEN1KMT2APOLBSMN1; SMN2
SCHEMBL5963755 0.78 ELANE (0.42) ELANESMN1; SMN2MAPTP2RX4
SCHEMBL15096383 0.78 ELANE (0.56) ELANEMEN1KMT2AABCB1POLB
SCHEMBL5963957 0.77 RIPK1 (0.49) ELANEMEN1KMT2ASMN1; SMN2KIF11

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