SCHEMBL18658564

SCHEMBL18658564

C=C[C@@H]1OC(C)(C)OC1C(=O)CC

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL12745739 1.00 MAPK1 (0.31) MAPK1NPSR1ALDH1A1TSHR
SCHEMBL12826667 0.86 MAPK1 (0.31) MAPK1NPSR1
SCHEMBL18658551 0.84 MAPK1 (0.30) MAPK1NPSR1
SCHEMBL18658561 0.84 MAPK1 (0.30) MAPK1NPSR1
SCHEMBL3741969 0.83 MAPK1 (0.33) MAPK1NPSR1
SCHEMBL3741967 0.83 MAPK1 (0.33) MAPK1NPSR1
SCHEMBL19459747 0.81
SCHEMBL18658547 0.81 MAPK1 (0.34) MAPK1NPSR1ALDH1A1
SCHEMBL9305518 0.81 MAPK1 (0.34) MAPK1NPSR1ALDH1A1
SCHEMBL17861866 0.81 LMNA (0.33) MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2837629-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LABORATORIES (TIANJIN) CO LTD (CN) 2017-03-22 EP disclosed