SCHEMBL3709750

SCHEMBL3709750

O=C(O)COc1cc(F)ccc1Br

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.76
FFAR1 O14842 1/20 0.61
FFAR4 Q5NUL3 1/20 0.61
PTGDR2 Q9Y5Y4 11/20 0.51
AKR1A1 P14550 1/20 0.49
AKR1B1 P15121 1/20 0.49
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GLA P06280 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SCD O00767 1/20 0.44
PTGDR Q13258 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL2112042 0.86 PKM (1.00) PKMPTGDR2POLBSMN1; SMN2PTGDR
SCHEMBL23949850 0.85 PKM (0.55) PKMFFAR1FFAR4PTGDR2AKR1A1
SCHEMBL30353364 0.85 PKM (0.55) PKMFFAR1FFAR4PTGDR2AKR1A1
SCHEMBL18045699 0.84 PKM (0.72) PKMFFAR1FFAR4PTGDR2POLB
SCHEMBL4517198 0.82 PKM (0.53) PKMFFAR1FFAR4SMN1; SMN2
SCHEMBL31472051 0.82 FFAR4 (0.64) PKMFFAR1FFAR4SCD
SCHEMBL4374302 0.80 PKM (0.62) PKMFFAR1FFAR4PTGDR2AKR1A1
SCHEMBL4384639 0.79 PKM (0.61) PKMFFAR1FFAR4PTGDR2POLB
SCHEMBL4138843 0.79 PKM (0.71) PKMPTGDR2AKR1A1AKR1B1POLB
SCHEMBL31468805 0.79 PKM (0.61) PKMFFAR4PTGDR2AKR1A1AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396295-A1 PHENOXY ACETIC ACID DERIVATIVES Merck Serono S.A. (CH) 2011-12-21 EP disclosed
WO-2010092043-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2010-08-19 WO disclosed