SCHEMBL9102503

SCHEMBL9102503

CSc1cc(C=O)cc(OCc2ccccc2)c1O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
ERN1 O75460 3/20 0.46
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SIRT1 Q96EB6 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 2/20 0.41
EGFR P00533 1/20 0.41
APP P05067 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 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
SCHEMBL25023083 0.82 MAOA (0.49) MAOAMAOBERN1LMNAKDM4E
SCHEMBL13907556 0.81 ERN1 (0.51) MAOAMAOBERN1LMNAKDM4E
SCHEMBL1515822 0.80 KDM4E (0.57) LMNAKDM4ESMN1; SMN2MAPTL3MBTL1
SCHEMBL9099598 0.80 MAOA (0.42) MAOAMAOBLMNAKDM4ESMN1; SMN2
SCHEMBL21634284 0.80 NPC1 (0.52) MAOAMAOBERN1LMNAKDM4E
SCHEMBL30821579 0.80 NPC1 (0.52) MAOAMAOBERN1LMNAKDM4E
SCHEMBL6942585 0.80 SIRT1 (0.61) MAOAMAOBERN1LMNAKDM4E
SCHEMBL9099618 0.80 SIRT1 (0.61) MAOAMAOBERN1LMNAKDM4E
SCHEMBL9761379 0.80 TTR (0.51) ERN1LMNAKDM4ECYP2C9CYP2C19
SCHEMBL27896089 0.79 MAOB (0.46) MAOAMAOBERN1LMNAKDM4E

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-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
EP-0402151-A1 New 2, 5-diaryl tetrahydrofurans and analogs thereof 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