SCHEMBL23829947

SCHEMBL23829947

O=C(O)CCCCCCC(Br)CBr

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
NFKB1 P19838 1/20 0.52
PMP22 Q01453 1/20 0.52
GSTK1 Q9Y2Q3 2/20 0.48
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 2/20 0.47
ALDH1A1 P00352 2/20 0.46
GPR84 Q9NQS5 3/20 0.44
ENPEP Q07075 1/20 0.44
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
PPARA Q07869 3/20 0.43
HDAC11 Q96DB2 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
TLR2 O60603 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43

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
SCHEMBL16401188 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL11579949 1.00 TSHR (0.52) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL7352946 0.91 LMNA (0.46) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL30945134 0.86 LMNA (0.52) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL5729462 0.84
SCHEMBL17866310 0.81 FFAR4 (0.55) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL11705517 0.81 FFAR4 (0.55) TSHRLMNANFKB1PMP22FFAR4
SCHEMBL11503082 0.79 FFAR4 (0.69) TSHRLMNAFFAR4FFAR1ALDH1A1
SCHEMBL11046849 0.79 TSHR (0.48) TSHRLMNANFKB1PMP22GSTK1
SCHEMBL23829588 0.79 FFAR4 (0.69) TSHRLMNAFFAR4FFAR1ALDH1A1

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-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed