SCHEMBL9414567

SCHEMBL9414567

CCCCCCCc1ccc(-c2ncc(-c3ccc(OC(=O)C(OCCCCC)C(F)(F)F)cc3)cn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 10/20 0.47
MAPT P10636 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RARA P10276 1/20 0.44
MTOR P42345 1/20 0.44
THRB P10828 2/20 0.41
THRA P10827 1/20 0.41
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
S1PR5 Q9H228 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
SCHEMBL9414626 1.00 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414581 1.00 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414584 1.00 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414574 0.99 RARB (0.46) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860891 0.97 RARB (0.43) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860753 0.94 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860525 0.94 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860683 0.94 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860497 0.94 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860934 0.94 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1

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-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 EP disclosed