SCHEMBL8860934

SCHEMBL8860934

CCCCCCc1ccc(-c2ccc(-c3ncc(OC(=O)C(OCCCCC)C(F)(F)F)cn3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.49
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
S1PR4 O95977 2/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
NPC1 O15118 1/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL8860525 1.00 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860753 1.00 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860497 1.00 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860683 1.00 RARB (0.49) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860620 0.99 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860848 0.98 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8860495 0.97 RARB (0.45) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414567 0.94 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414626 0.94 RARB (0.47) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL9414584 0.94 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