SCHEMBL9857271

SCHEMBL9857271

O=C(O)CCCOc1cccc(Cl)c1NC(=O)c1ccc(OCCCCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
FFAR1 O14842 2/20 0.53
CYSLTR2 Q9NS75 11/20 0.51
CYSLTR1 Q9Y271 10/20 0.51
S1PR1 P21453 3/20 0.50
S1PR3 Q99500 1/20 0.49
S1PR5 Q9H228 1/20 0.49
ESR1 P03372 2/20 0.47
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL9348939 0.84 ADRA1D (0.60) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL10719026 0.81 NR1H4 (0.55) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL9351817 0.81 ADRA1D (0.59) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL9857002 0.75 CYSLTR2 (0.59) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL9857414 0.75 NR1H4 (0.59) NR1H4FFAR1CYSLTR2CYSLTR1PLA2G4B
SCHEMBL9171590 0.75 ADRA1D (0.62)
SCHEMBL9857021 0.75 FFAR1 (0.63) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL9351304 0.73 SMN1; SMN2 (0.63) NR1H4
SCHEMBL9713250 0.73 KCNMA1 (0.62) NR1H4FFAR1CYSLTR2CYSLTR1S1PR1
SCHEMBL835506 0.72 MEN1 (0.65) NR1H4FFAR1S1PR1S1PR3S1PR5

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-4994479-A Antagonists of SRS-A(slow reacting substance of anaphylaxis); antiallergens, antiischemic agents YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 US disclosed