SCHEMBL6919933

SCHEMBL6919933

CC(C)(C)OC(=O)c1cc(C#N)ccc1NC(=O)c1noc2cc(O)ccc12.N#Cc1ccc(NC(=O)c2noc3cc(O)ccc23)c(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.37
HIF1A Q16665 5/20 0.36
MAPT P10636 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTT P42858 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GFER P55789 1/20 0.33
POLB P06746 1/20 0.33
GPR6 P46095 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
PYGL P06737 1/20 0.32

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
SCHEMBL6821929 0.90 ALB (0.43) ALBHIF1AMAPTTDP1MEN1
SCHEMBL6833230 0.88 HIF1A (0.37) HIF1AMAPTALDH1A1LMNAPDE10A
SCHEMBL6835780 0.85 HIF1A (0.35) HIF1AMAPTMEN1KMT2AALDH1A1
SCHEMBL6815114 0.82 HIF1A (0.37) HIF1AMAPTMEN1KMT2AALDH1A1
SCHEMBL6822117 0.82 HIF1A (0.37) ALBHIF1AMAPTALDH1A1PDE10A
SCHEMBL6818372 0.82 F10 (0.34) ALBALDH1A1PDE10AGAA
SCHEMBL6832994 0.82 HIF1A (0.46) ALBHIF1AMAPTALDH1A1POLB
SCHEMBL6813915 0.80 ALB (0.42) ALBHIF1AHTTPDE10APYGL
SCHEMBL6830641 0.80 AKR1C2 (0.43) ALBHIF1AMAPTTDP1MEN1
SCHEMBL6830664 0.80 HIF1A (0.44) ALBHIF1A

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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO disclosed