SCHEMBL31727174

SCHEMBL31727174

CC(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.45
▸ CASP3 P42574 2/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ TLR2 O60603 1/20 0.40
▸ TLR1 Q15399 1/20 0.40
▸ SIRT2 Q8IXJ6 5/20 0.40
▸ SIRT1 Q96EB6 3/20 0.40
▸ SIRT3 Q9NTG7 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL29423558 0.98 MDM2 (0.46) MDM2CASP3CA1CA2TLR2
SCHEMBL30731420 0.98 MDM2 (0.46) MDM2CASP3CA1CA2TLR2
SCHEMBL22690415 0.98 MDM2 (0.46) MDM2CASP3CA1CA2TLR2
SCHEMBL22690416 0.98 MDM2 (0.46) MDM2CASP3CA1CA2TLR2
SCHEMBL16424792 0.98 MDM2 (0.46) MDM2CASP3CA1CA2TLR2
SCHEMBL31726487 0.94 MDM2 (0.43) MDM2CA1CA2TLR2TLR1
SCHEMBL31727026 0.91 MDM2 (0.43) MDM2CASP3CA1CA2TLR2
SCHEMBL17550375 0.91 MDM2 (0.44) MDM2CA1CA2TLR2TLR1
SCHEMBL13401516 0.91 MDM2 (0.52) MDM2CA1CA2TLR2TLR1
SCHEMBL16325412 0.91 MDM2 (0.52) MDM2CA1CA2TLR2TLR1

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-2025235686-A1 FLUOROCAMPTOTHECIN COMPOUNDS, CONJUGATES, AND METHODS THEREOF Aarvik Therapeutics, Inc. (US) 2025-11-13 — — WO disclosed
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