SCHEMBL21159415

SCHEMBL21159415

Oc1c(I)cc(I)cc1C(O)O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.59
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRB2 P47870 1/20 0.48
ERN1 O75460 1/20 0.43
ALB P02768 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL22991569 0.82 TTR (0.61) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL10877649 0.79 TTR (0.56) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL7927726 0.79 GABRA1 (0.78) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL22280538 0.78 TTR (0.42) TTRGABRA1GABRB1GABRB2ERN1
Triiodophenol SCHEMBL338137 0.76 TTR (1.00) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL26696417 0.76 TTR (0.58) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL25836502 0.74 TTR (0.56) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL22991642 0.73 TTR (0.54) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL26295914 0.73 TTR (0.54) TTRGABRA1GABRB1GABRB2ERN1
SCHEMBL21241704 0.70 TTR (0.50) TTRGABRA1GABRB1GABRB2ERN1

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-2019135975-A1 ENHANCEMENT OF NUCLEIC ACID POLYMERIZATION BY AROMATIC COMPOUNDS STRATOS GENOMICS INC. (US) 2019-07-11 WO disclosed