SCHEMBL21777904

SCHEMBL21777904

C=Cc1cccc(C(=O)O)c1.C=Cc1cccc(C(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UNG P13051 1/20 0.68
TTR P02766 4/20 0.58
FBP1 P09467 1/20 0.54
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA6 P23280 1/20 0.52
CA9 Q16790 1/20 0.52
P4HB P07237 1/20 0.51
KMO O15229 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TDP1 Q9NUW8 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 2/20 0.46
DAO P14920 1/20 0.46
NAPRT Q6XQN6 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
Benzene SCHEMBL16487418 1.00 UNG (0.68) UNGTTRFBP1CA12CA1
SCHEMBL29373775 1.00 UNG (0.68) UNGTTRFBP1CA12CA1
SCHEMBL15036 1.00 UNG (0.68) UNGTTRFBP1CA12CA1
Bromide SCHEMBL3626512 0.98 UNG (0.66) UNGTTRFBP1CA12CA1
Hydrochloric Acid SCHEMBL2907557 0.98 UNG (0.66) UNGTTRFBP1CA12CA1
Iodide SCHEMBL3625902 0.98 UNG (0.66) UNGTTRFBP1CA12CA1
Isophthalic Acid SCHEMBL28305860 0.90 UNG (0.60) UNGTTRFBP1CA12CA1
Terephthalic Acid SCHEMBL6270577 0.86 UNG (0.56) UNGTTRFBP1CA12CA1
SCHEMBL28242748 0.85 TDP1 (0.52) UNGTTRFBP1TDP1TP53
SCHEMBL1941954 0.84 ATM (0.63) UNGHPGDHSD17B10TDP1TSHR

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-2020045869-A1 COMPOSITION FOR SURFACE TREATMENT OF MG-CONTAINING GALVANIZED STEEL SHEET AND MG-CONTAINING GALVANIZED STEEL SHEET SURFACE-TREATED USING SAME 주식회사 포스코 2020-03-05 WO disclosed