SCHEMBL19505801

SCHEMBL19505801

COC(=O)[C@@H]1CC=CN1C(=O)c1ccc(O)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ CA14 Q9ULX7 1/20 0.42
▸ KMT2A Q03164 3/20 0.40
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MIF P14174 2/20 0.36
▸ POLB P06746 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MMP2 P08253 2/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ MGLL Q99685 1/20 0.33

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
SCHEMBL19505803 0.87 KMT2A (0.53) KMT2ATSHRALDH1A1MEN1POLB
SCHEMBL19475006 0.81 CA2 (0.39) CA1CA2CA12CA7CA9
SCHEMBL19505792 0.79 LMNA (0.44) KMT2ATSHRALDH1A1MEN1MAPT
SCHEMBL19505790 0.77 CA12 (0.42) CA1CA2CA12CA7CA9
SCHEMBL19506192 0.76 FKBP1A (0.50) ALDH1A1POLBLMNAGAAMMP2
SCHEMBL19506188 0.76 FKBP1A (0.50) ALDH1A1POLBLMNAGAAMMP2
SCHEMBL19505786 0.75 HTT (0.48) CA1CA2CA12CA7CA9
SCHEMBL19505783 0.75 HTT (0.48) CA1CA2CA12CA7CA9
SCHEMBL19505797 0.71 MMP2 (0.47) CA1CA2CA12CA7CA9
SCHEMBL20996809 0.71 CA1 (0.36) CA1CA2CA12CA7CA9

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-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
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