SCHEMBL1744336

SCHEMBL1744336

CC(C)(CO)Cc1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
TDP1 Q9NUW8 1/20 0.46
CYP2C9 P11712 2/20 0.46
ACP3 P15309 1/20 0.44
CETP P11597 1/20 0.44
SSTR4 P31391 1/20 0.44
CASR P41180 1/20 0.44
VNN1 O95497 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP2A6 P11509 1/20 0.42
NR1I2 O75469 1/20 0.42
LMNA P02545 1/20 0.42
ADRA2A P08913 1/20 0.42
ACHE P22303 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL31675157 0.88 CYP2D6 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL7370145 0.81 CYP1A2 (0.47) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL808870 0.81 TDP1 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL6437231 0.81 CYP2C19 (0.50) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL11586023 0.80 CYP2D6 (0.53) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL4814074 0.79 CYP2D6 (0.52) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL28759548 0.78 CYP2C19 (0.47) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL2754934 0.77 CYP2D6 (0.50) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL8851072 0.77 CYP2C19 (0.50) CYP2C19CYP1A2CYP2D6TDP1CYP2C9
SCHEMBL7907369 0.77 CYP2C19 (0.50) CYP2C19CYP1A2CYP2D6TDP1CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
US-6265536-B1 MICROBIOCIDE AND FUNGICIDE WHICH IS INHIBITOR OF BETA-1,3-GLUCAN SYNTHASE; TREATMENT OF PNEUMOCYSTIS CARINII INFECTION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-07-24 US disclosed
US-6107458-A FUNGICIDE WHICH IS BETA-1,3-GLYCAN SYNTHASE INHIBITOR; FOR PROPHYLAXIS AND TREATMENT OF PNEUMOCYSTIS CARINII INFECTIONS LIKE PNEUMONIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-22 US disclosed
EP-0788511-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-13 EP disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed