SCHEMBL7913585

SCHEMBL7913585

COC(C)OC1CCC(C(=O)Oc2ccc(C(F)(F)C(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 2/20 0.37
ATM Q13315 1/20 0.33
HPGD P15428 1/20 0.33
POLB P06746 1/20 0.33
F2 P00734 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PDGFRB P09619 1/20 0.31
PDGFRA P16234 1/20 0.31

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
SCHEMBL7917584 0.89 KMT2A (0.38) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7913642 0.88 ALDH1A1 (0.44) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7903804 0.82 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7913587 0.81 KMT2A (0.39) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7911982 0.80 KMT2A (0.41) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7903470 0.79 KMT2A (0.39) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7917586 0.78 LIPG (0.41) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7911168 0.78 KMT2A (0.40) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7913822 0.78 ALDH1A1 (0.43) KMT2AHTTSMN1; SMN2TDP1ELANE
SCHEMBL7917441 0.72 ALDH1A1 (0.44) KMT2AHPGDALDH1A1

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-0640578-B2 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 2001-06-27 EP disclosed
EP-0640578-B1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition CHISSO CORP (JP) 1997-11-05 EP disclosed
EP-0640578-A1 Novel liquid crystalline compound having a 1,1,2,3,3,3,-hexafluoropropyl group and liquid crystal composition Chisso Corporation (JP) 1995-03-01 EP disclosed