SCHEMBL10600520

SCHEMBL10600520

C=CC(O)(O)OC(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
HSD17B10 Q99714 3/20 0.40
HPGD P15428 2/20 0.40
KMO O15229 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
USP2 O75604 1/20 0.38
MYC P01106 1/20 0.38

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
Isophthalic Acid SCHEMBL10600514 0.85 UNG (0.46) UNGCA12CA1CA2CA6
SCHEMBL2456547 0.83 TSHR (0.44) CA12CA1CA2CA6CA9
SCHEMBL27759175 0.83 RXRA (0.42) UNGCA12CA1CA2CA6
SCHEMBL2456544 0.79 ELANE (0.36) CA12CA1CA2CA9MEN1
SCHEMBL4762259 0.78 RXRA (0.46) UNGCA12CA1CA2CA6
Ethylene SCHEMBL11411611 0.77 SLC7A5 (0.54) CA12CA1CA2CA6CA9
SCHEMBL9695513 0.76 UNG (0.47) UNGCA12CA1CA2CA6
SCHEMBL30163785 0.76 SLC7A5 (0.56) CA12CA1CA2CA6CA9
SCHEMBL40750 0.76 SLC7A5 (0.56) CA12CA1CA2CA6CA9
SCHEMBL28064724 0.76 MRGPRX4 (0.50) UNGCA12CA1CA2CA6

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
EP-0197806-B1 ADHESIVE LAYER BASED ON POLYURETHANE, AND ITS USE IN LAMINATED GLASS SAINT GOBAIN VITRAGE INTERNATIONAL (FR) 1989-04-19 EP claimed