SCHEMBL22735753

SCHEMBL22735753

CC(C)CCNC(=O)CCCC1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
PKM P14618 1/20 0.50
CNR1 P21554 2/20 0.48
HPGD P15428 1/20 0.48
NAMPT P43490 2/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CNR2 P34972 1/20 0.41
HSD17B10 Q99714 1/20 0.39
MMP2 P08253 1/20 0.39
MMP8 P22894 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL24882512 0.84 SIGMAR1 (0.47) LMNAPKMCNR1HPGDNAMPT
SCHEMBL13328249 0.80 LMNA (0.60) LMNAPKMCNR1HPGDNAMPT
SCHEMBL7257878 0.78 ALDH1A1 (0.58) LMNAPKMCNR1HPGDNAMPT
SCHEMBL20112840 0.77 ALDH1A1 (0.44) LMNAPKMCNR1HPGDNAMPT
SCHEMBL25029220 0.77 CNR1 (0.46) LMNAPKMCNR1HPGDNAMPT
SCHEMBL25028346 0.77 CNR1 (0.46) LMNAPKMCNR1HPGDNAMPT
SCHEMBL17301565 0.77 LMNA (0.57) LMNAPKMCNR1HPGDNAMPT
SCHEMBL8847697 0.77 CNR1 (0.67) LMNAPKMCNR1HPGDNAMPT
SCHEMBL17660248 0.77 EPHX2 (0.49) HPGDRAB9AGLA
SCHEMBL11452609 0.76 ALDH1A1 (0.61) LMNAPKMCNR1HPGDNAMPT

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 WO disclosed