SCHEMBL30801303

SCHEMBL30801303

COc1cc(N2CCCCC2)ccc1C1CCC(=O)NC1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 10/20 0.47
DDB1 Q16531 9/20 0.47
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.43
HCRTR1 O43613 4/20 0.42
HCRTR2 O43614 4/20 0.42
SLC16A3 O15427 1/20 0.41
SLC16A1 P53985 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL31134484 0.90 CRBN (0.55) CRBNDDB1
Hydrochloric Acid SCHEMBL27039409 0.89 CRBN (0.54) CRBNDDB1
SCHEMBL24670182 0.87 CRBN (0.44) CRBNDDB1ALDH1A1
SCHEMBL30066195 0.87 CRBN (0.44) CRBNDDB1ALDH1A1
SCHEMBL31722466 0.86 CRBN (0.43) CRBNDDB1ALDH1A1
SCHEMBL24670181 0.86 CRBN (0.43) CRBNDDB1
SCHEMBL30066248 0.86 CRBN (0.43) CRBNDDB1
SCHEMBL27039720 0.82 DDB1 (0.58) CRBNDDB1ALDH1A1LMNA
SCHEMBL25955979 0.77 CRBN (0.52) CRBNDDB1
SCHEMBL31112020 0.76 CRBN (0.59) CRBNDDB1ALDH1A1LMNA

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
CN-117693502-A Compounds for inhibiting or degrading ITK, compositions comprising the same, methods of making the same, and methods of using the same 纽力克斯治疗公司 2024-03-12 CN disclosed