SCHEMBL10998628

SCHEMBL10998628

COc1cc(C(=O)CO)c(OC)c(OCc2ccccc2)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.49
CTSL P07711 1/20 0.49
PDE4D Q08499 2/20 0.49
MGAM O43451 1/20 0.48
GAA P10253 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
LMNA P02545 1/20 0.46
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44

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
SCHEMBL8444239 0.84 PDE4D (0.54) CTSVCTSLPDE4DHPGDNPC1
SCHEMBL16233166 0.82 HPGD (0.58) MGAMGAASIMGAM2HPGD
SCHEMBL10992318 0.81 KDM4E (0.49) PDE4DRAB9ASMN1; SMN2
SCHEMBL6762318 0.80 CTSV (0.52) CTSVCTSLHPGDLMNAMRGPRX4
SCHEMBL8318992 0.79 ALDH1A1 (0.49) PDE4DGAAHPGDNPC1RAB9A
SCHEMBL8052932 0.76 SMN1; SMN2 (0.53) CTSVCTSLPDE4DMGAMGAA
SCHEMBL5465796 0.75 CTSV (0.48) CTSVCTSLPDE4DHPGDNPC1
SCHEMBL28133879 0.75 PDE4D (0.62) CTSVCTSLPDE4DHPGDNPC1
SCHEMBL24140919 0.75 MRGPRX4 (0.51) CTSVCTSLHPGDNPC1RAB9A
SCHEMBL9729812 0.75 LRRK2 (0.57) CTSVCTSLGAAHPGDNPC1

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
US-4532254-A Inhibitor of aldose reductase KAKEN PHARMACEUTICAL CO., LTD. (JP) 1985-07-30 US disclosed