SCHEMBL9344671

SCHEMBL9344671

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 2/20 0.43
ELANE P08246 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 3/20 0.40
POLB P06746 1/20 0.40
RIPK1 Q13546 1/20 0.40
FOLH1 Q04609 1/20 0.39
MAPT P10636 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
P2RX4 Q99571 1/20 0.38
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
HPGD P15428 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL8487905 1.00 KMT2A (0.43) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL9407814 1.00 KMT2A (0.43) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL13531037 0.87 ELANE (0.37) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL14199219 0.81 KMT2A (0.46) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL9924408 0.81 KMT2A (0.46) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL13845044 0.78 KMT2A (0.40) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL14574449 0.78 KMT2A (0.40) KMT2AALDH1A1ELANEL3MBTL1MEN1
SCHEMBL5963538 0.77 ELANE (0.51) KMT2AALDH1A1ELANEMEN1POLB
SCHEMBL5963957 0.77 RIPK1 (0.49) KMT2AELANEMEN1RIPK1HPGD
SCHEMBL5963531 0.77 ELANE (0.44) KMT2AELANEMEN1POLBRIPK1

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
US-7358378-B2 Processes for the preparation of paclitaxel FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2008-04-15 US disclosed
US-5300638-A Reacting imine derivative of threonine with an acetyl halide in the presence of a base; preferential BRISTOL-MYERS SQUIBB COMPANY (US) 1994-04-05 US disclosed
EP-0582469-A2 Process for preparing taxol-type compound from beta-lactam precursors WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1994-02-09 EP disclosed
CN-1069028-A The asymmetric synthesis of taxol side chain BRISTOL MYERS SQUIBB CO (US) 1993-02-17 CN disclosed
EP-0525589-A1 Asymmetric synthesis of taxol side chain Bristol-Myers Squibb Company (US) 1993-02-03 EP disclosed