SCHEMBL31096147

SCHEMBL31096147

C=C(CO[Si](C)(C)C(C)(C)C)c1cncc(-c2ccc(OC)c(OCC)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.48
S1PR1 P21453 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
S1PR3 Q99500 1/20 0.41
PDE4B Q07343 3/20 0.40
PDE4A P27815 2/20 0.40
PDE4C Q08493 2/20 0.40
PDE4D Q08499 2/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL21823385 1.00 FPR2 (0.48) FPR2S1PR1SMN1; SMN2S1PR3PDE4B
SCHEMBL31096163 0.93 FPR2 (0.41) FPR2SMN1; SMN2PDE4BNPC1MAPT
SCHEMBL21823538 0.93 FPR2 (0.41) FPR2SMN1; SMN2PDE4BNPC1MAPT
SCHEMBL21823604 0.92 FPR2 (0.50) FPR2PDE4B
SCHEMBL31096087 0.92 FPR2 (0.50) FPR2PDE4B
SCHEMBL21823737 0.91 FPR2 (0.42) FPR2S1PR1SMN1; SMN2PDE4BPDE4A
SCHEMBL21823747 0.90 FPR2 (0.42) FPR2S1PR1PDE4BPDE4APDE4C
SCHEMBL31096064 0.89 FPR2 (0.49) FPR2S1PR1PDE4B
SCHEMBL21823424 0.89 FPR2 (0.49) FPR2S1PR1PDE4B
SCHEMBL21823730 0.88 FPR2 (0.44) FPR2PDE4BPDE4APDE4CPDE4D

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-113166177-B Boron-containing PDE4 inhibitors 辉瑞公司 2024-09-03 CN disclosed