SCHEMBL25132499

SCHEMBL25132499

CNC(CCCCNC(=O)CCCC(=O)C(C)C)C(=O)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.37
▸ ALB P02768 3/20 0.36
▸ CASP2 P42575 1/20 0.36
▸ NAAA Q02083 1/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL25132901 0.87 ALB (0.37) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL25132500 0.87 ALB (0.37) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL25132903 0.87 ALB (0.37) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL26773565 0.87 NAMPT (0.41) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL23664521 0.87 CASP2 (0.47) CASP2NAAANOD1FAAHCNR1
SCHEMBL25132935 0.86 CASP2 (0.37) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL13695157 0.84 ALB (0.40) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL23463505 0.84 ALDH1A1 (0.38) TSHRALDH1A1ALBCASP2NAAA
SCHEMBL16843241 0.80 CASP2 (0.44) TSHRALDH1A1CASP2NAAALMNA
SCHEMBL26700957 0.79 NAMPT (0.45) TSHRALDH1A1CASP2NAAALMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023057812-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDER VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
WO-2023057813-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THE TREATMENT, PREVENTION, OR MANAGEMENT OF HYPERPROLIFERATIVE DISORDERS VINCERX PHARMA GMBH (DE) 2023-04-13 — — WO disclosed
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