SCHEMBL28422751

SCHEMBL28422751

CCOC(=O)CCn1ccnc1O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 3/20 0.48
LMNA P02545 1/20 0.46
TNF P01375 9/20 0.45
CREBBP Q92793 1/20 0.43
ALDH1A1 P00352 1/20 0.42
KAT2B Q92831 1/20 0.40
ESR1 P03372 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2970107 0.86 ALDH1A1 (0.53) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL47378 0.83 FPR2 (0.47) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL4230415 0.81 FPR2 (0.46) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL21167189 0.81 FPR2 (0.46) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL47376 0.81 SMN1; SMN2 (0.65) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL4429718 0.79 ESR1 (0.70) FPR2TNFCREBBPALDH1A1ESR1
SCHEMBL17889253 0.79 ESR1 (0.45) FPR2LMNATNFESR1SMN1; SMN2
SCHEMBL18366017 0.77 ALDH1A1 (0.58) TNFALDH1A1SMN1; SMN2
SCHEMBL22356833 0.76 FPR2 (0.43) FPR2LMNATNFCREBBPALDH1A1
SCHEMBL17889248 0.76 FPR2 (0.43) FPR2LMNATNFCREBBPALDH1A1

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
CN-111356680-B Selective inhibitors of NLRP3 inflammasome 诺瑟拉有限公司 2023-11-28 CN disclosed
CN-111356680-A Selective inhibitors of NLRP3inflammasome 诺瑟拉有限公司 2020-06-30 CN disclosed