SCHEMBL8990037

SCHEMBL8990037

CC(=O)OC1C=C(C)OC1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.39
CA9 Q16790 4/20 0.39
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TSHR P16473 2/20 0.33
ALOX15 P16050 1/20 0.33
POLB P06746 1/20 0.32
CYP19A1 P11511 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL13677475 0.72 CYP19A1 (0.40) TSHRALOX15POLBCYP19A1
SCHEMBL11583404 0.69 CYP19A1 (0.39) TSHRALOX15POLBCYP19A1
SCHEMBL25236376 0.67 POLB (0.36) TSHRALOX15POLBCYP19A1
SCHEMBL19723785 0.67 POLB (0.36) TSHRALOX15POLBCYP19A1
SCHEMBL11041822 0.66 MET (0.42) TSHRALOX15CYP19A1
SCHEMBL11041827 0.66 MET (0.42) TSHRALOX15CYP19A1
SCHEMBL10704819 0.65 CYP19A1 (0.39) TSHRALOX15POLBCYP19A1
SCHEMBL10348295 0.65
SCHEMBL15908511 0.64 CYP19A1 (0.35) TSHRALOX15POLBCYP19A1
SCHEMBL2585385 0.64 CYP19A1 (0.40) CA12CA9TSHRALOX15POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563250-A Cleavable conjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1996-10-08 US disclosed
US-5141648-A Methods for isolating compounds using cleavable linker bound matrices NEORX CORPORATION (US) 1992-08-25 US disclosed
EP-0318948-B1 CLEAVABLE IMMUNOCONJUGATES FOR THE DELIVERY AND RELEASE OF AGENTS IN NATIVE FORM NEORX CORPORATION (US) 1992-08-19 EP disclosed
US-5017693-A Methods for introducing a sulfhydryl amino or hydroxyl groups to a compound NEORX CORPORATION (US) 1991-05-21 US disclosed
EP-0318948-A2 Cleavable immunoconjugates for the delivery and release of agents in native form NEORX CORPORATION (US) 1989-06-07 EP disclosed