SCHEMBL21659567

SCHEMBL21659567

CC(C)CCNC(=O)OC1C2CC/C=C\CCC21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
RAB9A P51151 3/20 0.40
GAA P10253 2/20 0.40
HSD17B10 Q99714 1/20 0.36
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
EPHX1 P07099 1/20 0.34
NPC1 O15118 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
LMNA P02545 3/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 1/20 0.33
ANPEP P15144 3/20 0.33
RNPEP Q9H4A4 2/20 0.33
DNPEP Q9ULA0 2/20 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
SCHEMBL21786685 0.81 EPHX1 (0.46) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL21659570 0.78 SMN1; SMN2 (0.35) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL24539765 0.76 EPHX1 (0.54) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL19429723 0.76 EPHX1 (0.44) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL22815254 0.74 SMN1; SMN2 (0.36) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL19733547 0.74 CHRM1 (0.38) SMN1; SMN2RAB9AALDH1A1EPHX1NPC1
SCHEMBL17301562 0.72 SMN1; SMN2 (0.43) SMN1; SMN2RAB9AGAAHSD17B10MMP2
SCHEMBL21786800 0.70 EPHX1 (0.44) SMN1; SMN2RAB9AGAACYP3A4CYP2C19
SCHEMBL21659929 0.70 LMNA (0.30) CYP3A4LMNA
SCHEMBL19733549 0.70 RAB9A (0.34) SMN1; SMN2RAB9ANPC1LMNAMAPT

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