SCHEMBL28567506

SCHEMBL28567506

CCC(C)(CCCOc1ccc2c(c1)OCO2)C(=O)Oc1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAOA P21397 2/20 0.46
▸ TSHR P16473 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.43
▸ FKBP1A P62942 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ GAA P10253 1/20 0.43

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
SCHEMBL28557968 0.97 MAOB (0.46) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28913508 0.94 MAOB (0.48) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28555718 0.84 MAOB (0.47) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL10064132 0.80 KMT2A (0.51) MAPTSMN1; SMN2RAB9AKMT2AKDM4E
SCHEMBL984460 0.75 MAOB (0.68) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28564924 0.74 MAPT (0.55) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL28564927 0.73 LMNA (0.51) MAPTSMN1; SMN2RAB9AKMT2AKDM4E
SCHEMBL28564398 0.73 TSHR (0.61) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL594966 0.73 MAOB (0.57) MAOBMAPTSMN1; SMN2RAB9AKMT2A
SCHEMBL108114 0.73 MAOB (0.74) MAOBMAPTRAB9AKMT2AMEN1

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-110407801-B 3, 4-methylenedioxy phenoxy fibrate- (3, 4-methylenedioxy) phenyl ester compound and application thereof in reducing blood fat 陕西中医药大学 2020-12-22 — — CN disclosed
Send feedback