SCHEMBL4945718

SCHEMBL4945718

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OC(=O)[C@@H](N)Cc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 7/20 0.69
P2RY2 P41231 4/20 0.69
SRC P12931 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
P2RX1 P51575 2/20 0.69
P2RX3 P56373 2/20 0.69
ALDH1A1 P00352 2/20 0.69
P2RX4 Q99571 1/20 0.69
P2RX2 Q9UBL9 1/20 0.69
TAS1R3 Q7RTX0 2/20 0.67
TAS1R1 Q7RTX1 2/20 0.67
P2RY12 Q9H244 1/20 0.67
TRPM2 O94759 2/20 0.66
DNPH1 O43598 1/20 0.66
PRKAB2 O43741 1/20 0.66
LDHA P00338 1/20 0.66
ADRB2 P07550 1/20 0.66
FBP1 P09467 1/20 0.66
ADORA1 P30542 1/20 0.66
PRKAG1 P54619 1/20 0.66

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
SCHEMBL30051599 1.00 P2RY1 (0.69) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL30903856 0.93 P2RY1 (0.68) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL347342 0.93 P2RY1 (0.68) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL17148064 0.92 P2RY1 (0.67) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Phosphate SCHEMBL15671063 0.91 P2RY1 (0.76) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL18423487 0.89 P2RY1 (0.73) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Triphosphate SCHEMBL3515197 0.88 P2RY1 (0.70) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL21067651 0.86 P2RY1 (0.60) P2RY1P2RY2SRCSMN1; SMN2P2RX1
SCHEMBL27695784 0.86 P2RY1 (0.63) P2RY1P2RY2SRCSMN1; SMN2P2RX1
Adenosine Phosphate SCHEMBL1050410 0.86 P2RY1 (0.76) P2RY1P2RY2SRCSMN1; SMN2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9732365-B2 Biosynthesis of paclitaxel intermediate BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2017-08-15 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
US-20150284751-A1 BIOSYNTHESIS OF PACLITAXEL INTERMEDIATE BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY 2015-10-08 US disclosed
EP-1232285-B1 CATALYTIC RNAs WITH AMINOACYLATION ACTIVITY UNIV NEW YORK STATE RES FOUND (US) 2008-06-04 EP disclosed
US-7001723-B1 Catalytic RNAs with aminoacylation activity THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-02-21 US disclosed
EP-1232285-A1 CATALYTIC RNAs WITH AMINOACYLATION ACTIVITY The Research Foundation Of State University of New York (US) 2002-08-21 EP disclosed
WO-2001038582-A1 CATALYTIC RNAs WITH AMINOACYLATION ACTIVITY THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2001-05-31 WO disclosed