SCHEMBL5863090

SCHEMBL5863090

O=[C]C(O)CNc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
DNM1 Q05193 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.40
BCHE P06276 1/20 0.40
ADRB2 P07550 2/20 0.38
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
ABCB1 P08183 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
SCHEMBL17137784 1.00 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL17137799 1.00 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL10500366 0.80 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL10401926 0.80 MAPT (0.49) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL7277860 0.76 MAPT (0.68) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL168120 0.76 MAPT (0.57) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL555036 0.73 MAPT (0.50) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL412018 0.73 MAPT (0.50) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL239274 0.73 MAPT (0.50) MAPTSMN1; SMN2HTTDNM1KDM4E
SCHEMBL10403335 0.73 ANPEP (0.51) DNM1KDM4EMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342451-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2017-11-30 US disclosed
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 US disclosed
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 US disclosed
WO-2013191678-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2013-12-27 WO disclosed
US-7153676-B1 Transacylases of the paclitaxel biosynthetic pathway WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-12-26 US disclosed
EP-1220930-A2 TRANSACYLASES OF THE PACLITAXEL BIOSYNTHETIC PATHWAY WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2002-07-10 EP disclosed
WO-2001023586-A2 TRANSACYLASES OF THE PACLITAXEL BIOSYNTHETIC PATHWAY WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) 2001-04-05 WO disclosed
US-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed