SCHEMBL8860495

SCHEMBL8860495

CCCCCOC(C(=O)Oc1cnc(-c2ccc(-c3ccc(CCCC)cc3)cc2)nc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.45
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RARA P10276 1/20 0.41
MTOR P42345 1/20 0.41
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
S1PR4 O95977 2/20 0.37
S1PR1 P21453 2/20 0.37

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
SCHEMBL8860848 0.99 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860620 0.98 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860753 0.97 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860934 0.97 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860683 0.97 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860525 0.97 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860497 0.97 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860891 0.94 RARB (0.43) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414574 0.92 RARB (0.46) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414584 0.91 RARB (0.47) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5665270-A Optically active trifluorolactic acid derivative and liquid crystal composition CHISSO CORPORATION (JP) 1997-09-09 US disclosed
EP-0592669-A1 OPTICALLY ACTIVE TRIFLUOROLACTIC ACID DERIVATIVE AND LIQUID CRYSTAL COMPOSITION CHISSO CORPORATION (JP) 1994-04-20 EP disclosed