SCHEMBL8546197

SCHEMBL8546197

O=Cc1ccc(OCC(F)(F)C(F)(F)C(F)(F)COc2ccc(C=O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
CYP2A6 P11509 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
KDM4E B2RXH2 4/20 0.43
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
RAB9A P51151 1/20 0.41
DRD1 P21728 1/20 0.41
ALDH1A3 P47895 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
STS P08842 1/20 0.39

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
SCHEMBL3045965 0.93 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL9144314 0.90 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL9146331 0.90 MAPT (0.45) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3032947 0.89 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL7165972 0.89 MAPT (0.44) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL245370 0.85 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL28516376 0.80 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL3036856 0.79 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL5357292 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAHPGD
SCHEMBL18045687 0.77 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2MAPTLMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed