SCHEMBL8979860

SCHEMBL8979860

CCOCCCCCCCC(OC(=O)c1ccc(OC(C)=O)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.36
HPGD P15428 2/20 0.36
NPC1 O15118 3/20 0.36
LMNA P02545 3/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
ELANE P08246 1/20 0.35
GAA P10253 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TSHR P16473 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL8975370 1.00 KMT2A (0.50) KMT2AL3MBTL1SMN1; SMN2HPGDNPC1
SCHEMBL8608162 0.97 KMT2A (0.47) KMT2AL3MBTL1SMN1; SMN2HPGDNPC1
SCHEMBL8166399 0.90 KMT2A (0.42) KMT2AL3MBTL1SMN1; SMN2HPGDNPC1
SCHEMBL8082375 0.86 ESR1 (0.42) SMN1; SMN2HPGDNPC1LMNAALDH1A1
SCHEMBL8082379 0.86 ESR1 (0.42) SMN1; SMN2HPGDNPC1LMNAALDH1A1
SCHEMBL8979680 0.86 ESR1 (0.42) SMN1; SMN2HPGDNPC1LMNAALDH1A1
SCHEMBL7754274 0.85 NPC1 (0.50) KMT2ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL7755297 0.85 NPC1 (0.50) KMT2ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL8610193 0.85 NPC1 (0.50) KMT2ASMN1; SMN2NPC1LMNANFKB1
SCHEMBL7750663 0.85 NPC1 (0.50) KMT2ASMN1; SMN2NPC1LMNANFKB1

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-0559088-B1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL CO (JP) 1996-05-15 EP disclosed
US-5482651-A ANTIFERROELECTRIC MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1996-01-09 US disclosed
EP-0559088-A1 Dioxane type liquid crystal substance MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1993-09-08 EP disclosed