SCHEMBL31490499

SCHEMBL31490499

OCc1cc(CO)nc(Cl)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.39
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
LMNA P02545 1/20 0.36
NOTUM Q6P988 7/20 0.35
S1PR4 O95977 2/20 0.34
RECQL P46063 1/20 0.33
ACHE P22303 1/20 0.32
S1PR2 O95136 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ESR1 P03372 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL6140631 0.87 S1PR2 (0.36) CCR1ALDH1A1ALOX15TSHRLMNA
SCHEMBL3295101 0.84 KMT2A (0.45) CCR1ALDH1A1LMNAS1PR2KDM4E
SCHEMBL12936274 0.79 ALDH1A1 (0.41) ALDH1A1LMNAKDM4ETDP1SMN1; SMN2
SCHEMBL4596056 0.78 NOTUM (0.44) CCR1ALDH1A1TSHRNOTUMS1PR4
SCHEMBL9044950 0.77 POLB (0.35) CCR1ALDH1A1TSHRNOTUMKDM4E
SCHEMBL16827202 0.77 LMNA (0.68) LMNA
SCHEMBL16397727 0.76 ALDH1A1 (0.34) ALDH1A1TSHRLMNANOTUMSMN1; SMN2
SCHEMBL31490514 0.74 SMN1; SMN2 (0.40) ALDH1A1ALOX15TSHRLMNAKDM4E
SCHEMBL4266118 0.74 CCR1 (0.40) CCR1ALDH1A1NOTUMACHEKDM4E
SCHEMBL16845584 0.73 NQO2 (0.40) ALDH1A1LMNANOTUMKDM4EMAPT

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-2025082283-A1 LIGAND COMPOUND OF CYCLOPEPTIDE STRUCTURE, NUCLIDE MARKER THEREOF, PHARMACEUTICAL COMPOSITION, AND USE 四川科伦博泰生物医药股份有限公司 2025-04-24 WO disclosed