SCHEMBL9099598

SCHEMBL9099598

CCCOc1c(OCc2ccccc2)cc(C=O)cc1SC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LMNA P02545 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HTR1A P08908 4/20 0.39
ADRA1D P25100 4/20 0.39
ADRA1A P35348 4/20 0.39
ADRA1B P35368 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TACR2 P21452 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
APP P05067 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36

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
SCHEMBL9811432 0.89 CCNB2 (0.47) LMNAKDM4EHTR1AADRA1DADRA1A
SCHEMBL9811439 0.85 KDM4E (0.48) LMNAKDM4EALDH1A1SMN1; SMN2APP
SCHEMBL10428975 0.84 MAPT (0.43) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL6940369 0.83 MAOA (0.44) MAOAMAOBLMNAKDM4EHTR1A
SCHEMBL10428974 0.81 HTR1A (0.39) LMNAHTR1AADRA1DADRA1AADRA1B
SCHEMBL9760249 0.81 SMN1; SMN2 (0.38) KDM4EHTR1AADRA1DADRA1AADRA1B
SCHEMBL9719068 0.81 ALDH1A1 (0.45) LMNAKDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL9102503 0.80 MAOA (0.46) MAOAMAOBLMNAKDM4EL3MBTL1
SCHEMBL9760245 0.79 SMN1; SMN2 (0.41) LMNAKDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL9761022 0.78 CCNB2 (0.44) MAOAMAOBLMNAKDM4EHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402151-B1 New 2, 5-diaryl tetrahydrofurans and analogs thereof as paf antagonists MERCK & CO INC (US) 1996-02-07 EP disclosed
US-5114961-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1992-05-19 US disclosed
US-5011847-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-04-30 US disclosed
US-5001123-A 2,5-diaryl tetrahydrofurans and analogs thereof as PAF antagonists MERCK & CO., INC. (US) 1991-03-19 US disclosed
US-4996203-A Platelet-activating factor antagonists MERCK & CO., INC. (US) 1991-02-26 US disclosed
EP-0402150-A1 New 2,5-diaryl tetrahydrofurans and analogs therof as PAF antagonists MERCK & CO. INC. (US) 1990-12-12 EP 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
US-4977146-A ANTICOAGULANT MERCK & CO., INC. (US) 1990-12-11 US disclosed