SCHEMBL7848347

SCHEMBL7848347

CC(=O)COc1c(C)c2ccc(C)c(CN3C(=O)c4ccccc4C3=O)c2oc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.45
MAOB P27338 6/20 0.45
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
HPGD P15428 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HSD17B10 Q99714 4/20 0.41
TP53 P04637 1/20 0.41
MAPK1 P28482 2/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 2/20 0.39
STAT1 P42224 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL7848066 0.88 MAOA (0.47) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL6993944 0.80 ALDH1A1 (0.62) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL7875934 0.79 MAOA (0.54) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL6991273 0.72 MAPT (0.59) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL6994888 0.70 SHBG (0.62) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL7001821 0.69 ALDH1A1 (0.51) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL7636599 0.69 HSD17B10 (0.53) KDM4EALDH1A1RAB9ANPC1HPGD
SCHEMBL7847385 0.68 KDM4E (0.49) MAOAMAOBKDM4EALDH1A1RAB9A
SCHEMBL6996833 0.65 ERAP1 (0.63) MAOAMAOBKDM4EALDH1A1HPGD
SCHEMBL7000666 0.65 ALDH1A1 (0.63) MAOBKDM4EALDH1A1RAB9ANPC1

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
EP-1032265-A4 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORP (US) 2001-05-30 EP disclosed
EP-1032265-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION Cerus Corporation (US) 2000-09-06 EP disclosed
WO-1999026476-A1 NEW PSORALENS FOR PATHOGEN INACTIVATION CERUS CORPORATION (US) 1999-06-03 WO disclosed