SCHEMBL4601003

SCHEMBL4601003

C=CC(=O)Oc1c(OCCCOC)cccc1Oc1ncc(C(F)(F)F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
PPARG P37231 11/20 0.46
RAB9A P51151 1/20 0.44
LIPE Q05469 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL4600789 0.95 HPGD (0.48) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4602102 0.91 HPGD (0.49) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
Water SCHEMBL4601371 0.90 HPGD (0.48) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4601130 0.89 PPARG (0.49) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4601556 0.88 HPGD (0.47) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4601774 0.87 HPGD (0.49) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4600147 0.86 HPGD (0.48) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4601418 0.85 HPGD (0.51) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4600376 0.85 HPGD (0.53) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL4601848 0.84 HPGD (0.50) HPGDLMNASMN1; SMN2ALDH1A1CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed