SCHEMBL15544304

SCHEMBL15544304

O=C1C[C@H](c2cc(O)c(O)c(O)c2)Oc2c(O)cc(O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
KDM4E B2RXH2 2/20 0.55
POLB P06746 2/20 0.55
ALPI P09923 2/20 0.55
GAA P10253 2/20 0.55
RECQL P46063 2/20 0.55
BLM P54132 1/20 0.55
MCL1 Q07820 1/20 0.55
ATM Q13315 1/20 0.55
TTR P02766 4/20 0.48
CYP19A1 P11511 7/20 0.47
CYP3A4 P08684 4/20 0.47
CYP1A1 P04798 3/20 0.47
CYP1A2 P05177 3/20 0.47
CYP1B1 Q16678 3/20 0.47
CYP2C19 P33261 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MEN1 O00255 2/20 0.47
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL27860085 0.91 CYP19A1 (0.51) MAPTKDM4EPOLBALPIGAA
SCHEMBL2781916 0.86 MAPT (0.71) MAPTKDM4EPOLBALPIGAA
SCHEMBL1508800 0.85 CYP19A1 (0.64) MAPTKDM4EPOLBALPIGAA
SCHEMBL349721 0.85 CYP19A1 (0.62) MAPTKDM4EPOLBALPIGAA
SCHEMBL5084379 0.80 PTPN1 (0.51) MAPTKDM4EPOLBGAARECQL
SCHEMBL2319144 0.79 CYP19A1 (0.68) MAPTKDM4EPOLBALPIGAA
SCHEMBL17318042 0.79 CYP1A1 (0.67) MAPTATMCYP19A1CYP3A4CYP1A1
SCHEMBL7200859 0.79 CYP1A1 (0.67) MAPTATMCYP19A1CYP3A4CYP1A1
SCHEMBL677661 0.78 CYP19A1 (0.63) CYP19A1CYP3A4ARESR2TUBB4A
SCHEMBL910349 0.77 PTPN1 (0.60) CYP1A1CYP1B1TP53PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240263203-A1 RECOMBINANT HOST CELLS WITH IMPROVED PRODUCTION OF TETRAKETIDE DERIVATIVES IPTECTOR ASSETS APS (DK) 2024-08-08 US disclosed
US-20220257561-A1 COMPOSITIONS AND METHODS FOR IMPROVING WELLNESS ADVANCED DELIVERY LABS LLC (US) 2022-08-18 US disclosed
EP-3906301-A1 RECOMBINANT HOST CELLS WITH IMPROVED PRODUCTION OF TETRAKETIDE DERIVATIVES Barrit Sarl (FR) 2021-11-10 EP disclosed
WO-2020141230-A1 RECOMBINANT HOST CELLS WITH IMPROVED PRODUCTION OF TETRAKETIDE DERIVATIVES BARRIT SARL (FR) 2020-07-09 WO disclosed
WO-2014007853-A1 DIHYDROMYRICETIN FOR THE TREATMENT OF DISEASES AND DISORDERS OF THE GLUTAMATERGIC SYSTEM THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-01-09 WO disclosed