SCHEMBL8990261

SCHEMBL8990261

O=C(O)C=CC=CC(F)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.41
BACE1 P56817 1/20 0.41
MASP2 O00187 1/20 0.37
F2 P00734 1/20 0.37
TSHR P16473 2/20 0.36
TP53 P04637 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
EGLN3 Q9H6Z9 1/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 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
SCHEMBL28638529 0.82 GABRP (0.44) TSHRTP53EGLN1EGLN3GABRP
SCHEMBL2727 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL30554051 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL509417 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL2726 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL820982 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL351491 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL30694696 0.72 TSHR (0.67) ACHEBACE1MASP2F2TSHR
SCHEMBL14600850 0.70 ACHE (0.48) ACHEBACE1MASP2F2TSHR
SCHEMBL14600849 0.70 ACHE (0.48) ACHEBACE1MASP2F2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543317-A GENE WHICH ENCODES A POLYPEPTIDE FLORIDA WEST, UNIVERSITY OF 1996-08-06 US disclosed