SCHEMBL7901697

SCHEMBL7901697

CO[C@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](OC(=S)SC)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.47
USP2 O75604 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.45
F11 P03951 2/20 0.44
TMPRSS2 O15393 1/20 0.44
PDE5A O76074 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
HMGCR P04035 1/20 0.44
CYP1A2 P05177 1/20 0.44
LCK P06239 1/20 0.44
FYN P06241 1/20 0.44
HSPD1 P10809 1/20 0.44
CYP2C9 P11712 1/20 0.44
CA6 P23280 1/20 0.44
TBXAS1 P24557 1/20 0.44
MAPK3 P27361 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL13250766 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL17850298 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL22455860 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14405192 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL18068236 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL13250762 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL13271795 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL20730007 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL14428922 0.90 PTPN1 (0.56) PTPN1USP2MEN1POLBKMT2A
SCHEMBL22983992 0.89 PTPN1 (0.57) PTPN1USP2MEN1POLBKMT2A

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-6197963-B1 TETRAHYDROPYRAN DERIVATIVES; PROTEIN G, SOMATOSTATIN, AND NATURAL KILLER CELL RECEPTOR ANTAGONISTS OR MIMETICS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2001-03-06 US disclosed
US-5811512-A BINDING TO G-PROTEIN-LINKED RECEPTORS, SUBSTANCE P RECEPTOR; HORMONE INHIBITORS THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1998-09-22 US disclosed
US-5552534-A COMPOUNDS FOR CROSS REACTION WITH PEPTIDES FOR BINDING G PROTEIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1996-09-03 US disclosed