SCHEMBL9108833

SCHEMBL9108833

CCOC(=O)c1c(C)c(C(=O)OCC)n(-n2cccc2)c1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.62
USP2 O75604 1/20 0.55
HPGD P15428 3/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
MAPT P10636 5/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 4/20 0.43

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
SCHEMBL11363402 0.77 KMT2A (1.00) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL9109079 0.74 MAPK1 (0.43) KMT2AHPGDTSHRCYP1A2CYP2C19
SCHEMBL5138552 0.72 KMT2A (0.67) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL31193397 0.72 MAPT (0.66) KMT2AUSP2TSHRMAPTRAB9A
SCHEMBL24403122 0.69 KMT2A (0.61) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL21408348 0.69 USP2 (0.77) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL21408305 0.69 KMT2A (0.76) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL257221 0.69 KMT2A (0.69) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL8910221 0.68 KMT2A (0.81) KMT2AUSP2HPGDTSHRCYP1A2
SCHEMBL11354316 0.68 KMT2A (0.81) KMT2AUSP2HPGDTSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527186-A4 UNIV ILLINOIS (US) 1995-01-18 EP disclosed
EP-0527186-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS The Board of Trustees for the University of Illinois (US) 1993-02-17 EP disclosed
WO-1991016820-A1 PHOTODYNAMIC PLANT DEFOLIANTS AND CHLOROPHYLL BIOSYNTHESIS MODULATORS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1991-11-14 WO disclosed