SCHEMBL23501889

SCHEMBL23501889

O=C(O)c1cc(Br)cc(C(=O)O)c1.O=C(O)c1cc(Br)cc(C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.56
POLB P06746 2/20 0.56
HCAR2 Q8TDS4 1/20 0.56
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
TPMT P51580 4/20 0.48
TP53 P04637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
CA3 P07451 1/20 0.48
MAPT P10636 1/20 0.48
SELL P14151 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL475757 1.00 TTR (0.56) TTRPOLBHCAR2CA12CA1
SCHEMBL27896747 0.97 TTR (0.54) TTRPOLBHCAR2CA12CA1
Ethylene SCHEMBL28706399 0.95 TTR (0.52) TTRPOLBHCAR2CA12CA1
SCHEMBL8361 0.94 TTR (0.56) TTRPOLBHCAR2CA12CA1
Hydrochloric Acid SCHEMBL11153457 0.92 TTR (0.54) TTRPOLBHCAR2CA12CA1
Isophthalic Acid SCHEMBL28667980 0.88 CA12 (0.56) CA12CA1CA2CA9TP53
SCHEMBL6133362 0.88 POLB (0.47) TTRPOLBHCAR2CA12CA1
SCHEMBL7014559 0.88 POLB (0.47) TTRPOLBHCAR2CA12CA1
SCHEMBL18862777 0.87 POLB (0.50) TTRPOLBHCAR2CA12CA1
SCHEMBL200289 0.85 CA12 (0.68) TTRPOLBHCAR2CA12CA1

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-2021118292-A2 COMPOSITION FOR WOUND HEALING, CONTAINING METAL-ORGANIC FRAMEWORK 서울대학교병원 2021-06-17 WO claimed