SCHEMBL27993307

SCHEMBL27993307

COc1cc(F)c(C(C)C(=O)C(C)c2cc(OC)c(OC)cc2F)cc1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 4/20 0.38
KDM1A O60341 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
HIF1A Q16665 1/20 0.35

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
SCHEMBL27991671 0.79 POLB (0.42) MGAMGAASIMGAM2HTT
SCHEMBL5166833 0.78 P2RX3 (0.45) MGAMGAASIMGAM2CYP3A4
SCHEMBL2540155 0.75 LMNA (0.40) MGAMGAASIMGAM2MTNR1A
SCHEMBL5042406 0.75 LMNA (0.41) MGAMGAASIMGAM2MTNR1A
SCHEMBL27661831 0.75 GAA (0.40) MGAMGAASIMGAM2LMNA
SCHEMBL27993308 0.74 ALDH1A1 (0.38) MGAMGAASIMGAM2MTNR1A
SCHEMBL2545081 0.74 LMNA (0.39) MGAMGAASIMGAM2MTNR1A
SCHEMBL15676827 0.74 LMNA (0.39) MGAMGAASIMGAM2MTNR1A
SCHEMBL27789213 0.73 MGAM (0.43) MGAMGAASIMGAM2MTNR1A
SCHEMBL28821875 0.72 CES2 (0.35) RAB9AALDH1A1PTGS1PTGS2

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
CN-104349777-A Compounds for the treatment of spinal muscular atrophy PTC THERAPEUTICS INC 2015-02-11 CN disclosed