SCHEMBL7354465

SCHEMBL7354465

COc1ccc(COc2cc(NC(C)=O)c(Cl)cc2C(=O)CCCCCl)cc1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
AGER Q15109 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
ALDH1A1 P00352 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MTNR1A P48039 2/20 0.41
MTNR1B P49286 2/20 0.41
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
DRD2 P14416 2/20 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
SCHEMBL7350242 0.90 SMN1; SMN2 (0.43) SMN1; SMN2AGERALDH1A1HPGDNPSR1
SCHEMBL7352264 0.90 KDM4E (0.52) SMN1; SMN2AGERALDH1A1CYP1A2CYP2C9
SCHEMBL7355259 0.86 AGER (0.53) SMN1; SMN2AGERALDH1A1KDM4EHPGD
SCHEMBL7348962 0.86 ALDH1A1 (0.45) AGERALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7350522 0.83 NPC1 (0.53) SMN1; SMN2KDM4EHPGDNPSR1HSP90AA1
SCHEMBL7358509 0.83 AGER (0.57) SMN1; SMN2AGERALDH1A1KDM4EHPGD
SCHEMBL7359351 0.82 MGAT2 (0.47) SMN1; SMN2AGERALDH1A1CYP1A2CYP2C9
SCHEMBL8971982 0.82 SMN1; SMN2 (0.41) SMN1; SMN2AGERMRGPRX4ALDH1A1CYP1A2
SCHEMBL8574070 0.74 ALDH1A1 (0.51) ALDH1A1CYP2C9CYP2C19KDM4EPOLB
SCHEMBL7360982 0.74 PGK1 (0.39) SMN1; SMN2AGERALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682663-B1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS UPJOHN CO (US) 2001-04-18 EP disclosed
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
US-5686486-A 4-hydroxy-benzopyran-2-ones and 4-hydroxy-cycloalkyl b!pyran-2-ones useful to treat retroviral infections PHARMACIA & UPJOHN COMPANY (US) 1997-11-11 US disclosed
EP-0682663-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS PHARMACIA & UPJOHN COMPANY (US) 1995-11-22 EP disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed
WO-1994018188-A1 4-HYDROXY-BENZOPYRAN-2-ONES AND 4-HYDROXY-CYCLOALKYL[B]PYRAN-2-ONES USEFUL TO TREAT RETROVIRAL INFECTIONS THE UPJOHN COMPANY (US) 1994-08-18 WO disclosed