SCHEMBL8048488

SCHEMBL8048488

CCOC(=O)c1nc(S)n(C2CCCCC2)c1C(=O)OCC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OGFRL1 Q5TC84 5/20 0.47
OPRM1 P35372 4/20 0.47
OPRK1 P41145 4/20 0.47
OPRD1 P41143 3/20 0.47
ALDH1A1 P00352 5/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 3/20 0.39
POLB P06746 2/20 0.39
RECQL P46063 1/20 0.39
ELANE P08246 1/20 0.38
GRK6 P43250 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP3 P42574 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16268486 0.77 GRK6 (0.42) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL2681871 0.75 CNR2 (0.50) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL9273650 0.69 ALDH1A1 (0.61) ALDH1A1MAPK1ELANEKDM4EMAPT
SCHEMBL5038584 0.69 GRK6 (0.44) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL14886590 0.69 NOTUM (0.55) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL15998950 0.69 NOTUM (0.55) ALDH1A1TSHRMAPK1LMNAKDM4E
SCHEMBL7479473 0.68 TSHR (0.46) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL4284918 0.68 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL4281769 0.68 OGFRL1 (0.53) OGFRL1OPRM1OPRK1OPRD1ALDH1A1
SCHEMBL7474321 0.66 ALDH1A1 (0.47) OGFRL1OPRM1OPRK1OPRD1ALDH1A1

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-6143765-A ENZYME IHIBITORS OF PROTEIN SUGEN, INC. (US) 2000-11-07 US disclosed
US-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed
US-5883110-A ORGANIC MOLECULES CAPABLE OF INHIBITING PROTEIN TYROSINE PHOSPHATASE ACTIVITY, AND THE USE OF SUCH MOLECULES TO TREAT VARIOUS DISEASE STATES INCLUDING DIABETES MELLITUS, GLIOMA, MELANOMA, KAPOSI'S SARCOMA, HEMANGIOMA, OVARIAN CANCER, BREAST SUGEN, INC. (US) 1999-03-16 US disclosed