SCHEMBL8087952

SCHEMBL8087952

[3H]c1cc2cccc3c2c(c1[3H])C(=O)N(OC(C)=O)C3=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.51
KDM4E B2RXH2 9/20 0.51
HPGD P15428 7/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HSD17B10 Q99714 3/20 0.51
TDP1 Q9NUW8 1/20 0.45
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
AKR1B1 P15121 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HTT P42858 1/20 0.41
HEXA P06865 1/20 0.39
HEXB P07686 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL8088866 0.92 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL2959934 0.89 ALDH1A1 (0.64) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8080590 0.80 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL8088826 0.75 KDR (0.32) ALDH1A1CYP1A2
SCHEMBL13898970 0.74 KDM4E (0.57) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL859822 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL5865397 0.74 NPC1 (0.50) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL29838651 0.74 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL13898509 0.74 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDMEN1KMT2A
SCHEMBL27400027 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US claimed
US-6160128-A Tritioacetylating reagents and processes for preparation thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-12-12 US disclosed