SCHEMBL6691589

SCHEMBL6691589

CC(C)(c1ccc(ON=C=O)cc1)c1ccc(ON=C=O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
ESR1 P03372 2/20 0.37
CYP3A4 P08684 2/20 0.37
ESR2 Q92731 2/20 0.37
AR P10275 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR6 P50406 1/20 0.37
ESRRG P62508 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP1A2 P05177 1/20 0.36
PPARG P37231 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
SCHEMBL8855187 0.77 ACHE (0.42) HPGDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL1949466 0.72 TSHR (0.41) HPGDTSHRESR1CYP3A4ESR2
SCHEMBL28646754 0.71
SCHEMBL14599710 0.69 SMN1; SMN2 (0.47) HPGDTSHRCYP3A4ALDH1A1MEN1
SCHEMBL10614238 0.68 SMN1; SMN2 (0.46) HPGDTSHRALDH1A1MEN1KMT2A
SCHEMBL13941809 0.68 HPGD (0.41) HPGDTSHRESR1CYP3A4ESR2
SCHEMBL3177458 0.68 CYP3A4 (0.50) HPGDTSHRESR1CYP3A4ESR2
SCHEMBL305469 0.68 CYP3A4 (0.50) HPGDTSHRESR1CYP3A4ESR2
SCHEMBL305480 0.68 CYP3A4 (0.50) HPGDTSHRESR1CYP3A4ESR2
SCHEMBL3188810 0.68 ESR1 (0.41) HPGDTSHRESR1CYP3A4ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004083275-A1 THERMOSETTING MOULDABLE MATERIAL PROVIDED WITH IMPROVED PROCESSABILITY AMI AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2004-09-30 WO claimed
WO-2004083275-A1 THERMOSETTING MOULDABLE MATERIAL PROVIDED WITH IMPROVED PROCESSABILITY AMI AGROLINZ MELAMINE INTERNATIONAL GMBH (AT) 2004-09-30 WO disclosed
EP-0212372-B1 PHOTOREACTIVE POLYMERS FOR THE PREPARATION OF RELIEF STRUCTURES BASF Aktiengesellschaft (DE) 1991-03-27 EP disclosed
EP-0212372-A2 Photoreactive polymers for the preparation of relief structures BASF Aktiengesellschaft (DE) 1987-03-04 EP disclosed