SCHEMBL8000294

SCHEMBL8000294

C=COB(O)c1cccc(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.44
UNG P13051 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA6 P23280 1/20 0.42
CA9 Q16790 1/20 0.42
AKR1C3 P42330 1/20 0.41
KMO O15229 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ERN1 O75460 1/20 0.38
FOLH1 Q04609 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL7998170 0.85 UNG (0.43) TTRUNGCA12CA1CA2
SCHEMBL15999885 0.78 CA12 (0.46) TTRUNGCA12CA1CA2
SCHEMBL28045833 0.78 CA12 (0.46) TTRUNGCA12CA1CA2
SCHEMBL14970703 0.78 CA12 (0.46) TTRUNGCA12CA1CA2
SCHEMBL393925 0.77 TRPV6 (0.44) CA1CA2CA6
SCHEMBL6684 0.75 TTR (0.59) TTRUNGCA12CA1CA2
SCHEMBL29380260 0.75 TTR (0.59) TTRUNGCA12CA1CA2
Isophthalic Acid SCHEMBL4624459 0.73 CA12 (0.52) TTRUNGCA12CA1CA2
Isophthalic Acid SCHEMBL8125692 0.73 CA12 (0.52) TTRUNGCA12CA1CA2
SCHEMBL28159303 0.73 TTR (0.57) TTRUNGCA12CA1CA2

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-2000010007-A9 DEVICES AND METHODS FOR ANALYSIS OF NON-IONIC SOLUTES CALIFORNIA INST OF TECHN (US) 2000-07-06 WO claimed