SCHEMBL8747246

SCHEMBL8747246

CCCC(O)CCC(OC(=O)c1[c]cccc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
TSHR P16473 1/20 0.33
CETP P11597 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL8747459 0.89 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8747455 0.89 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8747429 0.84 ALDH1A1 (0.40) TSHRKDM4E
SCHEMBL8747427 0.84 ALDH1A1 (0.40) TSHRKDM4E
SCHEMBL8747440 0.84 PRKCA (0.40) TSHRKDM4E
SCHEMBL8747437 0.84 PRKCA (0.40) TSHRKDM4E
SCHEMBL8747249 0.79 SLC6A4 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL11469429 0.76 PRKCA (0.48) KDM4E
SCHEMBL8747451 0.76 GABRA1 (0.30) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8747358 0.72 ALDH1A1 (0.35) TSHRKDM4E

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-0585032-B1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL CO (JP) 1997-03-05 EP disclosed
US-5340498-A High speed response MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-08-23 US disclosed
EP-0585032-A1 Anti-ferroelectric liquid crystal and liquid crystal display device MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 1994-03-02 EP disclosed