SCHEMBL28259705

SCHEMBL28259705

C=Cc1[nH]ccc1CCCC

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRA P10827 6/20 0.38
THRB P10828 6/20 0.38
GPR84 Q9NQS5 1/20 0.35
TYR P14679 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HTR1A P08908 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CTRC Q99895 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MPO P05164 1/20 0.31
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
LIPG Q9Y5X9 1/20 0.30

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
SCHEMBL7747777 0.81 GPR84 (0.39) THRATHRBGPR84TYRHTR1A
SCHEMBL7086196 0.76 GPR84 (0.45) THRATHRBGPR84TYRMEN1
SCHEMBL6150979 0.76 GPR84 (0.41) GPR84TYRMEN1KMT2AHTR1A
SCHEMBL28740087 0.75 GPR84 (0.47) THRATHRBGPR84TYRMEN1
SCHEMBL3124388 0.72 GPR84 (0.39) GPR84TYRMEN1KMT2AHTR1A
SCHEMBL11900020 0.72 GPR84 (0.39) GPR84TYRMEN1KMT2AHTR1A
SCHEMBL27686311 0.72 GABRA1 (0.35)
Hydrochloric Acid SCHEMBL3698264 0.71 GPR84 (0.38) GPR84TYRMEN1KMT2AHTR1A
SCHEMBL2973934 0.71 TYR (0.41) GPR84TYRMEN1KMT2ACYP3A4
SCHEMBL9175799 0.71 GPR84 (0.42) GPR84TYRMEN1KMT2ACYP3A4

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
CN-108929344-A A kind of method of phosphatide monomer in poly ion liquid separating phospholipids homologue 浙江大学 2018-12-04 CN disclosed