SCHEMBL8997216

SCHEMBL8997216

O=C(O)CCCOc1c(Br)c(Br)c(Br)c(Br)c1Br

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 5/20 0.44
THRB P10828 5/20 0.44
TSHR P16473 3/20 0.43
CSNK2A2 P19784 1/20 0.42
CSNK2A1 P68400 1/20 0.42
LMNA P02545 2/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
FFAR4 Q5NUL3 2/20 0.39
FFAR1 O14842 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
NFKB1 P19838 1/20 0.39
PMP22 Q01453 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL11519531 0.92 THRA (0.42) THRATHRBTSHRCSNK2A2CSNK2A1
SCHEMBL11484043 0.77 KLK1 (0.39) THRATHRB
SCHEMBL11702766 0.74 KLK1 (0.42) THRATHRB
SCHEMBL6377892 0.74 KLK1 (0.42) THRATHRB
SCHEMBL1822003 0.72 FFAR1 (0.58) FFAR4FFAR1PPARA
SCHEMBL11504186 0.72 MCL1 (0.58) TSHRLMNAFFAR4FFAR1
SCHEMBL31448501 0.71 PPARA (0.65) LMNAFFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL94853 0.71 CA1 (0.32)
SCHEMBL22773768 0.71 CYP4F2 (0.44) TSHRFFAR4FFAR1CYSLTR2CYSLTR1
SCHEMBL9780586 0.71 KMT2A (0.65) TSHRFFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544052-B1 Use of a photocurable resin composition for the preparation of a laminated film. DAICEL UCB CO LTD (JP) 1996-09-04 EP disclosed
EP-0544052-A1 Use of a photocurable resin composition for the preparation of a laminated film. DAICEL-UCB CO., LTD. (JP) 1993-06-02 EP disclosed
US-4134814-A Halogenated photopolymerizable adhesives UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed
US-4134811-A Halogenated photopolymerizable compositions UCB, SOCIETE ANONYME (BE) 1979-01-16 US disclosed