SCHEMBL9811432

SCHEMBL9811432

CCCOc1c(OCc2ccccc2)cc(C=CC=O)cc1SC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.47
CDK1 P06493 2/20 0.47
CDK4 P11802 2/20 0.47
CCNB1 P14635 2/20 0.47
CCND1 P24385 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39
APP P05067 4/20 0.37
HTR1A P08908 4/20 0.37
ADRA1D P25100 4/20 0.37
ADRA1A P35348 4/20 0.37
ADRA1B P35368 4/20 0.37
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MAPK1 P28482 2/20 0.35
NTSR1 P30989 2/20 0.35
ALDH1A1 P00352 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL9099598 0.89 MAOA (0.42) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL9811439 0.86 KDM4E (0.48) KDM4ELMNAAPPALDH1A1HPGD
SCHEMBL10428975 0.80 MAPT (0.43) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL7089735 0.80 CCNB2 (0.63) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL10428974 0.78 HTR1A (0.39) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL9760249 0.77 SMN1; SMN2 (0.38) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL9760245 0.75 SMN1; SMN2 (0.41) KDM4ELMNAHPGD
SCHEMBL6584338 0.74 CCNB2 (0.57) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6584344 0.74 CCNB2 (0.57) CCNB2CDK1CDK4CCNB1CCND1
SCHEMBL6940369 0.72 MAOA (0.44) KDM4ELMNAAPPHTR1AADRA1D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
EP-0402156-A1 New 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed
EP-0402155-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP disclosed