SCHEMBL11255489

SCHEMBL11255489

CC(=O)C1(COC(=O)NC2CC2)CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.47
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HSD11B1 P28845 1/20 0.34
MME P08473 2/20 0.34
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL11069006 0.79 EPHX1 (0.36) EPHX1GAAALDH1A1TSHR
SCHEMBL11080332 0.78 MME (0.37) ALDH1A1MMETSHR
SCHEMBL11100968 0.77 HRH3 (0.39) MME
SCHEMBL9680322 0.76 CYP2C19 (0.38) ALDH1A1SMN1; SMN2TSHR
SCHEMBL11082110 0.76 ALDH1A1 (0.34) EPHX1GAAALDH1A1SMN1; SMN2TSHR
SCHEMBL11255126 0.75 MEN1 (0.50) EPHX1MAPTALDH1A1
SCHEMBL11081471 0.73 ACHE (0.51)
SCHEMBL15014485 0.70 EPHX1 (0.42) EPHX1GAAALDH1A1MAPK1SMN1; SMN2
SCHEMBL7788916 0.68 SMYD3 (0.47) EPHX1GAAALDH1A1HSD11B1MAPK1
SCHEMBL18380884 0.68 SMYD3 (0.47) EPHX1GAAALDH1A1HSD11B1MAPK1

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
US-4335138-A HYPNOTIC, SEDATIVE BASF AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed