SCHEMBL21784777

SCHEMBL21784777

CCOC(C)(C)C(F)(F)CCC(=O)c1ccc(F)cc1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2R P25116 2/20 0.39
PKM P14618 1/20 0.35
MAPT P10636 2/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RAB9A P51151 1/20 0.32
ACKR3 P25106 2/20 0.32
TSHR P16473 2/20 0.31
HSD17B10 Q99714 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FFAR1 O14842 1/20 0.30
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL31072018 0.80 F2R (0.40) F2RPKMMAPTTHRATHRB
SCHEMBL21767653 0.80 F2R (0.40) F2RPKMMAPTTHRATHRB
SCHEMBL21780541 0.78 F2R (0.39) F2RPKMMAPTTHRATHRB
SCHEMBL26044824 0.78 F2R (0.41) F2RPKMMAPTTHRATHRB
SCHEMBL21780538 0.75 F2R (0.56) F2RPKMMAPTTHRATHRB
SCHEMBL5952920 0.72 F2R (0.48) F2RPKMMAPTTHRATHRB
SCHEMBL21857955 0.70 F2R (0.44) F2RPKMMAPTMEN1LMNA
SCHEMBL22097313 0.70 PKM (0.49) F2RPKMMAPTMEN1CYP1A2
SCHEMBL5777608 0.68 TSHR (0.55) F2RPKMMAPTMEN1LMNA
SCHEMBL21858005 0.68 F2R (0.40) F2RPKMMAPTMEN1LMNA

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
WO-2020047239-A1 INHIBITING αV β6 INTEGRIN MORPHIC THERAPEUTIC, INC. (US) 2020-03-05 WO disclosed