SCHEMBL6427547

SCHEMBL6427547

C=C(C)C(=O)OCCCOc1ccc(-c2c3ccc(=NCC)cc-3oc3cc(NCC)ccc23)c(C(=O)OCC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.34
▸ CA1 P00915 5/20 0.34
▸ CA2 P00918 5/20 0.34
▸ CA9 Q16790 5/20 0.34
▸ ABCB1 P08183 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ CFTR P13569 1/20 0.33
▸ PAX8 Q06710 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ GOPC Q9HD26 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ CASP3 P42574 1/20 0.31

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
Hydrochloric Acid SCHEMBL5605926 0.99 USP2 (0.34) CA12CA1CA2CA9ABCB1
SCHEMBL17919671 0.85 ABCB1 (0.42) CA12CA1CA2CA9ABCB1
SCHEMBL6056007 0.81 ABCB1 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL13653629 0.81 ABCB1 (0.47) ABCB1USP2CFTRPAX8ATM
Hydrochloric Acid SCHEMBL5605911 0.81 USP2 (0.47) ABCB1USP2CFTRPAX8ATM
SCHEMBL3808753 0.80 ABCB1 (0.46) CA12CA1CA2CA9ABCB1
Hydrochloric Acid SCHEMBL3808756 0.80 USP2 (0.46) CA12CA1CA2CA9ABCB1
SCHEMBL17413919 0.76 ABCB1 (0.45) CA12CA1CA2CA9ABCB1
SCHEMBL18368213 0.74 ABCB1 (0.41) ABCB1USP2CFTRPAX8ATM
SCHEMBL12056738 0.73 ABCB1 (0.43) CA12CA1CA2CA9ABCB1

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
US-20050206843-A1 Lens for eye and method for marking thereof MENICON CO., LTD. (JP) 2005-09-22 — — US disclosed
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