SCHEMBL8978043

SCHEMBL8978043

NC(=O)c1cc(O)cc(C(=O)NC(CO)CO)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
NQO2 P16083 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
F3 P13726 2/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.34
NSD2 O96028 1/20 0.34
LMNA P02545 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
APEX1 P27695 1/20 0.34

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
SCHEMBL3403490 0.91 NQO2 (0.40) KDM4EALDH1A1NQO2TAS1R3TAS1R1
SCHEMBL8413046 0.83 HDAC1 (0.40) NQO2TAS1R3TAS1R1ROCK2RPS6KA5
SCHEMBL3649580 0.80 F3 (0.49) PARP1KDM4EALDH1A1F3TAS1R3
SCHEMBL9266883 0.80 KDM4E (0.36) KDM4EALDH1A1NQO2TAS1R3TAS1R1
SCHEMBL4609315 0.79 TAS1R3 (0.38) KDM4EALDH1A1TAS1R3TAS1R1POLB
SCHEMBL9265836 0.78 SERPINE1 (0.44) KDM4EALDH1A1HTTLMNAGAA
SCHEMBL14777914 0.78 ALDH1A1 (0.43) KDM4EALDH1A1LMNAGAAROCK2
SCHEMBL29234296 0.76 ALDH1A1 (0.44) PARP1KDM4EALDH1A1LMNAGAA
SCHEMBL30945842 0.76 ALDH1A1 (0.44) PARP1KDM4EALDH1A1LMNAGAA
SCHEMBL22815249 0.76 TAS1R3 (0.36) TAS1R3TAS1R1POLBTDP1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707572-A1 IODINATED OLIGOMERIC COMPOUNDS AND DIAGNOSTIC COMPOSITIONS CONTAINING THE SAME BRACCO S.p.A. (IT) 1996-04-24 EP disclosed