Tannin Pyrogallol

Tannin Pyrogallol

SCHEMBL9580604

c1ccc(-c2ccc(-c3ccccc3)cc2)cc1.c1ccc2ncccc2c1

nearest known ligand 0.77

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.77
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
TOP1 P11387 3/20 0.47
CYP2A6 P11509 1/20 0.47
DYRK1A Q13627 1/20 0.47
CYP3A4 P08684 1/20 0.47
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
CASP1 P29466 2/20 0.45
HTT P42858 2/20 0.45
MEN1 O00255 1/20 0.45
CASP7 P55210 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
NR4A2 P43354 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45

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
Biphenyl SCHEMBL4922682 0.98 ALDH1A1 (0.81) ALDH1A1NPC1POLBRAB9ATOP1
Biphenyl SCHEMBL28062891 0.95 ALDH1A1 (0.77) ALDH1A1NPC1POLBRAB9ATOP1
Quinoline SCHEMBL9355965 0.91 ALDH1A1 (0.94) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL28302932 0.91 ALDH1A1 (0.94) ALDH1A1NPC1POLBRAB9ACYP3A4
SCHEMBL3189055 0.91 ALDH1A1 (0.94) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27594824 0.88 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ATOP1
Quinoline SCHEMBL27689007 0.88 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27695728 0.88 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL7208557 0.88 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4
Quinoline SCHEMBL27968245 0.88 ALDH1A1 (0.90) ALDH1A1NPC1POLBRAB9ACYP3A4

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
US-5227457-A Rigid-rod polymers MAXDEM INCORPORATED (US) 1993-07-13 US disclosed