SCHEMBL7913826

SCHEMBL7913826

CCOCCOC1CCC(C(=O)Oc2ccc(OC(F)(F)C(F)C(F)(F)F)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
POLB P06746 2/20 0.37
LIPG Q9Y5X9 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ELANE P08246 1/20 0.35
EPHX2 P34913 7/20 0.34
FAAH O00519 1/20 0.34
F2 P00734 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL7913646 0.91 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7911162 0.91 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7917586 0.88 LIPG (0.41) ALDH1A1HTTKMT2ASMN1; SMN2TDP1
SCHEMBL7911988 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7917393 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7913621 0.84 ALDH1A1 (0.42) ALDH1A1TSHRHSD17B10LIPGKDM4E
SCHEMBL7917456 0.81 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7913822 0.81 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7903957 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HTTKMT2A
SCHEMBL7913642 0.79 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10HTTKMT2A

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