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SCHEMBL23314673

SCHEMBL23314673

COC(=O)[C@@H]1Cc2ccc(OCCNC(=O)OC(C)(C)C)c(c2)-c2cc(ccc2OCCNC(=O)OC(C)(C)C)[C@H](N(C)C(=O)C(N)CCCCNC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 1/20 0.31
▸ CA12 O43570 5/20 0.31
▸ CA1 P00915 5/20 0.31
▸ CA2 P00918 5/20 0.31
▸ CA9 Q16790 5/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 1/20 0.30
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL18681188 1.00 CTSD (0.31) CTSDCA12CA1CA2CA9
SCHEMBL22275833 0.98 CA12 (0.32) CTSDCA12CA1CA2CA9
SCHEMBL22275473 0.95 CCNT1 (0.31) CA12CA1CA2CA9CCNT1
SCHEMBL15750389 0.94 CCNT1 (0.34) CTSDCCNT1CDK9
SCHEMBL15253607 0.94 CCNT1 (0.34) CTSDCCNT1CDK9
SCHEMBL18681176 0.93 MARS1 (0.31) CCNT1CDK9
SCHEMBL22275718 0.93 CA12 (0.31) CA12CA1CA2CA9CCNT1
SCHEMBL25984074 0.93 CA12 (0.31) CA12CA1CA2CA9CCNT1
SCHEMBL18630290 0.92 CCNT1 (0.32) CTSDCCNT1CDK9
SCHEMBL25982682 0.92 CA12 (0.32) CTSDCA12CA1CA2CA9

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-3145944-B1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS INC (US) 2021-05-05 — — EP disclosed
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