SCHEMBL19988061

SCHEMBL19988061

Ic1ccn(C2CCC3(CC2)OCCO3)n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
C5AR1 P21730 4/20 0.33
SIGMAR1 Q99720 1/20 0.31
IDO1 P14902 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PARP1 P09874 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
SCHEMBL15825704 0.79
SCHEMBL28459957 0.79 CYP1A2 (0.33)
SCHEMBL26618201 0.79 IDH1 (0.32)
SCHEMBL30267357 0.78 ALDH1A1 (0.33) ALDH1A1L3MBTL1C5AR1PARP1
SCHEMBL30267191 0.78 FAAH (0.32) ALDH1A1L3MBTL1SIGMAR1IDO1
SCHEMBL27568268 0.76 SIGMAR1 (0.39) SIGMAR1
SCHEMBL26101147 0.76 SIGMAR1 (0.36) SIGMAR1
SCHEMBL138290 0.75 HPGD (0.31) C5AR1
SCHEMBL1359707 0.73 ALDH1A1 (0.32) ALDH1A1C5AR1MAPTSMN1; SMN2
SCHEMBL633502 0.72 MPO (0.48) ALDH1A1C5AR1

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-2878601-B1 AGENT FOR TREATING OR CONTROLLING RECURRENCE OF ACUTE MYELOGENOUS LEUKEMIA RIKEN (JP) 2018-03-28 EP disclosed