SCHEMBL19984777

SCHEMBL19984777

COc1ccc(C(c2ccc(OC)cc2)C(O)I)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
AOC3 Q16853 2/20 0.47
ALDH1A1 P00352 3/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACP3 P15309 1/20 0.43
SLC2A1 P11166 1/20 0.42
PBRM1 Q86U86 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL19984817 0.92 ACP3 (0.54) ALDH1A1TSHRL3MBTL1ACP3PBRM1
SCHEMBL19984901 0.91 CNR2 (0.50) AOC3ALDH1A1TSHRMAPK1TDP1
SCHEMBL19315897 0.82 CA12 (0.52) CA12CA1CA2CA7CA9
SCHEMBL19077747 0.81 CA1 (0.65) CA12CA1CA2CA7CA9
SCHEMBL3132927 0.80 CA1 (0.50) CA12CA1CA2CA7CA9
SCHEMBL11432701 0.77 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL19728209 0.77 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL3695690 0.77 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL11938484 0.77 CA1 (0.58) CA12CA1CA2CA7CA9
SCHEMBL120187 0.77 CA12 (0.58) CA12CA1CA2CA7CA9

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-2306986-B1 PRODRUGS AND DRUG-MACROMOLECULE CONJUGATES HAVING CONTROLLED DRUG RELEASE RATES PROLYNX LLC (US) 2018-03-21 EP disclosed