SCHEMBL11311981

SCHEMBL11311981

O=C(OC[C@H]1O[C@@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.63
NT5E P21589 1/20 0.60
F11 P03951 2/20 0.55
PTPN2 P17706 2/20 0.54
PTPN11 Q06124 1/20 0.54
ALDH1A1 P00352 2/20 0.54
ELANE P08246 1/20 0.53
TMPRSS2 O15393 1/20 0.52
USP2 O75604 1/20 0.52
PDE5A O76074 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
HMGCR P04035 1/20 0.52
CYP1A2 P05177 1/20 0.52
LCK P06239 1/20 0.52
FYN P06241 1/20 0.52
HSPD1 P10809 1/20 0.52
CYP2C9 P11712 1/20 0.52
CA6 P23280 1/20 0.52
TBXAS1 P24557 1/20 0.52

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
SCHEMBL11311986 1.00 PTPN1 (0.63) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11311727 0.92 PTPN1 (0.54) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11311731 0.92 PTPN1 (0.54) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11315054 0.88 ALDH1A1 (0.54) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11327371 0.88 ALDH1A1 (0.54) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11315047 0.88 ALDH1A1 (0.54) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL22556155 0.88 NT5E (0.55) PTPN1NT5EF11PTPN2ALDH1A1
SCHEMBL11729874 0.87 ALDH1A1 (0.53) PTPN1NT5EF11PTPN2PTPN11
SCHEMBL11313631 0.87 ALDH1A1 (0.53) PTPN1NT5EF11PTPN2PTPN11
Bromide SCHEMBL11313647 0.87 ALDH1A1 (0.53) PTPN1NT5EF11PTPN2PTPN11

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
US-4282349-A Crystalline ribofuranosyl halides and other derivatives and methods for producing same BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1981-08-04 US claimed
US-4282349-A Crystalline ribofuranosyl halides and other derivatives and methods for producing same BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1981-08-04 US disclosed
US-4282349-A Crystalline ribofuranosyl halides and other derivatives and methods for producing same BOARD OF CONTROL OF MICHIGAN TECHNOLOGICAL UNIVERSITY (US) 1981-08-04 US disclosed