SCHEMBL5533535

SCHEMBL5533535

O=C(OCCC(C(=O)O)(C(=O)O)c1ccccc1)c1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTTP P55157 15/20 0.49
GAA P10253 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
APOB P04114 8/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL3727582 0.91 MTTP (0.48) MTTPGAAKDM4EALDH1A1LMNA
SCHEMBL3727587 0.89 MTTP (0.46) MTTPGAAKDM4EALDH1A1LMNA
SCHEMBL8612390 0.83 MTTP (0.59) MTTPGAAKDM4EALDH1A1LMNA
SCHEMBL8609977 0.82 KDM4E (0.59) MTTPGAAKDM4EALDH1A1LMNA
SCHEMBL7342820 0.80 KDM4E (0.61) MTTPGAAKDM4EALDH1A1LMNA
SCHEMBL3726876 0.78 SMN1; SMN2 (0.48) MTTPGAAALDH1A1LMNAMAPT
SCHEMBL3723677 0.78 APOB (0.47) MTTPGAAALDH1A1LMNAMAPT
SCHEMBL3730634 0.77 MTTP (0.43) MTTPALDH1A1APOB
SCHEMBL5528942 0.75 MTTP (0.49) MTTPAPOBSMN1; SMN2
SCHEMBL3730445 0.74 KDM4E (0.46) MTTPGAAKDM4EAPOBSMN1; SMN2

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-1806149-A1 SOLID MEDICINAL PREPARATION IMPROVED IN SOLUBILITY AND STABILITY AND PROCESS FOR PRODUCING THE SAME Japan Tobacco, Inc. (JP) 2007-07-11 EP disclosed