SCHEMBL21659570

SCHEMBL21659570

CC(C)CCNC(=O)OC1C2CCC3=CC3CCC21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 3/20 0.35
GAA P10253 2/20 0.35
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MMP2 P08253 1/20 0.32
MMP8 P22894 1/20 0.32
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
EPHX2 P34913 1/20 0.31
LMNA P02545 1/20 0.30
PSMB5 P28074 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KCNA5 P22460 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
SCHEMBL21659567 0.78 SMN1; SMN2 (0.40) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL24539765 0.67 EPHX1 (0.54) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL21659929 0.66 LMNA (0.30) LMNACYP3A4
SCHEMBL21786685 0.63 EPHX1 (0.46) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL19429723 0.62 EPHX1 (0.44) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL5949707 0.61 EPHX1 (0.48) SMN1; SMN2RAB9AGAANPC1L3MBTL1
SCHEMBL15800512 0.61 SMN1; SMN2 (0.30) SMN1; SMN2HSD17B10
SCHEMBL17301562 0.61 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AGAAMAPK1HSD17B10
SCHEMBL20662511 0.60 CTSV (0.41) SMN1; SMN2RAB9ANPC1L3MBTL1HPGD
SCHEMBL22815254 0.60 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AGAAHSD17B10MMP2

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-3143154-B1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES SORRENTO THERAPEUTICS INC (US) 2020-01-29 EP disclosed