SCHEMBL4919639

SCHEMBL4919639

N#CC(O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.47
PTPN2 P17706 1/20 0.41
KDM6B O15054 1/20 0.39
SLC6A2 P23975 2/20 0.37
SYNJ2 O15056 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ABL1 P00519 1/20 0.34
ALPL P05186 1/20 0.34
POLB P06746 1/20 0.34
ALPI P09923 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
ALPG P10696 1/20 0.34
PABPC1 P11940 1/20 0.34
RECQL P46063 1/20 0.34
GALK1 P51570 1/20 0.34
CASP7 P55210 1/20 0.34
CASP6 P55212 1/20 0.34
MCL1 Q07820 1/20 0.34
RIN1 Q13671 1/20 0.34

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
SCHEMBL20973857 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL17387703 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL5568770 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL5568766 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL17387710 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL17387704 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL20644203 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
SCHEMBL20644204 1.00 PTPN1 (0.47) PTPN1PTPN2KDM6BSLC6A2SYNJ2
Vitamin B17 SCHEMBL22227478 0.86 SYNJ2 (0.45) SYNJ2KDM4EABL1ALPLPOLB
Vitamin B17 SCHEMBL22227477 0.86 SYNJ2 (0.45) SYNJ2KDM4EABL1ALPLPOLB

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-20190144483-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE SICHTNIK LASZLO (US) 2019-05-16 US claimed
US-10723751-B2 Compositions and methods for treating infectious disease SICHTNIK LASZLO (US) 2020-07-28 US disclosed
US-20190144483-A1 COMPOSITIONS AND METHODS FOR TREATING INFECTIOUS DISEASE SICHTNIK LASZLO (US) 2019-05-16 US disclosed
US-9017736-B2 Method of transforming into genin and sapogenins of particular plant species of the family Sapotaceae with the use of exogenous ß-glycosidases for the preparation of cosmetics and dermatological compositions DE LA LLATA ROMERO LUIS (MX) 2015-04-28 US disclosed
US-20080261291-A1 Method of Obtaining Cyanogenic Glycoside and Related Glycosides, as Well as Genin and Sapogenins Derivatives of Plants of the Family Sapotaceae for the Preparation of Cosmetics and Dermatological Compositions DE LA LLATA ROMERO LUIS 2008-10-23 US disclosed