SCHEMBL23837435

SCHEMBL23837435

CC(=O)CCC(=O)N[C@H]1Cc2cccc(C(=O)OCOC(=O)C3CCCCC3)c2OB1N=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.35
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MAPT P10636 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL17337492 0.89 TDP1 (0.36) TDP1ATMALDH1A1CASP3SENP8
SCHEMBL17337490 0.89 TDP1 (0.36) TDP1ATMALDH1A1CASP3SENP8
SCHEMBL23837419 0.89 TDP1 (0.33) TDP1ATMMAPT
SCHEMBL23837530 0.88 — —
SCHEMBL23129881 0.82 TDP1 (0.39) TDP1ATMALDH1A1HPGDMAPT
SCHEMBL17347749 0.82 TDP1 (0.39) TDP1ATMALDH1A1HPGDMAPT
SCHEMBL23837541 0.81 TSHR (0.34) TDP1ALDH1A1MAPTL3MBTL1
SCHEMBL17347701 0.80 TDP1 (0.40) TDP1ATMALDH1A1HPGDMAPT
SCHEMBL23129642 0.80 TDP1 (0.40) TDP1ATMALDH1A1HPGDMAPT
SCHEMBL23129978 0.80 TDP1 (0.37) TDP1ATMALDH1A1CASP3SENP8

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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