SCHEMBL7903804

SCHEMBL7903804

COCOC1CCC(C(=O)Oc2ccc(C(F)(F)C(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ELANE P08246 2/20 0.37
HPGD P15428 4/20 0.35
F2 P00734 1/20 0.34
ATM Q13315 1/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
USP2 O75604 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
SCHEMBL7913587 0.90 KMT2A (0.39) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7903470 0.90 KMT2A (0.39) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7917393 0.88 ALDH1A1 (0.44) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7917586 0.85 LIPG (0.41) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7911982 0.84 KMT2A (0.41) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7913585 0.82 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7917584 0.81 KMT2A (0.38) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7911168 0.80 KMT2A (0.40) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7913646 0.78 ALDH1A1 (0.43) KMT2ASMN1; SMN2HTTTDP1ELANE
SCHEMBL7911162 0.78 ALDH1A1 (0.43) KMT2ASMN1; SMN2HTTTDP1ELANE

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