SCHEMBL25132500

SCHEMBL25132500

CC(C)NC(CCCCNC(=O)CCCC(=O)C(C)C)C(=O)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 3/20 0.37
▸ TSHR P16473 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CASP2 P42575 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ EPHX1 P07099 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ NAMPT P43490 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ CNR1 P21554 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
SCHEMBL25132903 1.00 ALB (0.37) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL25132901 1.00 ALB (0.37) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL21913856 0.88 ALDH1A1 (0.43) ALBTSHRALDH1A1CASP2NAAA
SCHEMBL25132499 0.87 TSHR (0.38) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL16248536 0.87 NAMPT (0.40) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL16409459 0.86 CASP2 (0.51) ALBALDH1A1CASP2NOD1NAAA
SCHEMBL14952664 0.86 ALDH1A1 (0.41) ALBTSHRALDH1A1CASP2NAAA
SCHEMBL25132935 0.85 CASP2 (0.37) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL25129545 0.84 ALDH1A1 (0.37) ALBTSHRALDH1A1CASP2NOD1
SCHEMBL20729996 0.84 ALB (0.38) ALBTSHRALDH1A1CASP2NOD1

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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