SCHEMBL27486901

SCHEMBL27486901

C[C@H](OC=O)c1c[nH]c2cccc(C[C@H]3CO3)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 2/20 0.33
HTR2A P28223 4/20 0.31
PDE4D Q08499 1/20 0.30
FFAR1 O14842 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 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
SCHEMBL28291599 0.81 POLB (0.37) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL27369292 0.78 GPR84 (0.44) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL27906752 0.74 FFAR1 (0.43) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL27771264 0.74 HTR2A (0.44) HTR2AHTR2CHTR2B
SCHEMBL27524231 0.74 NR4A2 (0.46) GPR84HTR2APDE4DFFAR1HTR2C
SCHEMBL27965809 0.74 CYP2A6 (0.35) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL28678155 0.73 HTR2A (0.45) HTR2AHTR2CHTR2B
SCHEMBL28044112 0.73 RIPK1 (0.34) HTR2APDE4DHTR2CHTR2B
SCHEMBL27908791 0.72 HTR2A (0.35) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL28818816 0.71 SLC6A4 (0.39) GPR84HTR2AFFAR1

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-1164574-C Phenoxypropylamine compounds ������ҩ��ʽ���� 2004-09-01 CN disclosed
CN-1378533-A Phenoxypropylamine compounds MITSUBISHI PHARMACEUTICAL CO L (JP) 2002-11-06 CN disclosed