SCHEMBL27799862

SCHEMBL27799862

O=C(O)CCc1cc(OCc2ccccc2)cc(C(F)(F)F)c1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 13/20 0.67
FFAR4 Q5NUL3 9/20 0.67
THRA P10827 2/20 0.60
THRB P10828 2/20 0.60
NR4A2 P43354 2/20 0.51
AKR1B1 P15121 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.50

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
SCHEMBL136463 0.86 RXRA (0.56) FFAR1FFAR4NR4A2MRGPRX4
Phenyl Propionic Acid SCHEMBL3127187 0.84 FFAR1 (0.57) FFAR1FFAR4THRATHRBAKR1B1
SCHEMBL27821115 0.83 MAOB (0.49) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL23536844 0.82 MAOB (0.61) FFAR1FFAR4NR4A2
SCHEMBL5764984 0.82 NR4A2 (0.50) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL27986144 0.81 FFAR1 (0.46) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL27799979 0.81 ALDH1A1 (0.56) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL23536653 0.80 POLB (0.48) FFAR1FFAR4NR4A2MRGPRX4
SCHEMBL850085 0.80 MEN1 (0.72) NR4A2MRGPRX4
SCHEMBL135927 0.80 NR4A2 (0.49) FFAR1FFAR4NR4A2MRGPRX4

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
CN-101952244-B N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors AMIRA PHARMACEUTICALS INC 2014-11-05 CN disclosed
CN-101952244-A PGD 2The N of acceptor, N-disubstituted amido alkyl biphenyl antagonist AMIRA PHARMACEUTICALS INC 2011-01-19 CN disclosed