SCHEMBL6940894

SCHEMBL6940894

CCCCCCC(=O)C1CC1c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.48
OPRD1 P41143 1/20 0.48
HTR1A P08908 7/20 0.46
DRD1 P21728 7/20 0.46
DRD4 P21917 7/20 0.46
DRD5 P21918 7/20 0.46
DRD3 P35462 7/20 0.46
DRD2 P14416 6/20 0.46
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL17029589 0.79 HRH3 (0.51)
SCHEMBL4773039 0.74 KIF11 (0.49) HTR2AHTR2CHTR2B
SCHEMBL25456800 0.74 KIF11 (0.49) HTR2AHTR2CHTR2B
SCHEMBL28669621 0.74 FFAR1 (0.50) HTR2AHTR2CHTR2B
SCHEMBL4775489 0.74 FFAR1 (0.50) HTR2AHTR2CHTR2B
SCHEMBL25169879 0.74 FFAR1 (0.50) HTR2AHTR2CHTR2B
SCHEMBL28678691 0.74 FFAR1 (0.50) HTR2AHTR2CHTR2B
SCHEMBL22878804 0.73 HTR2A (0.59) OPRM1OPRD1HTR1ADRD1DRD4
SCHEMBL6939424 0.73 HTR2A (0.44) OPRM1OPRD1DRD2HTR2AHTR2C
Octanoic Acid SCHEMBL9716549 0.70 GPR84 (0.61)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1171859-C Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ������ũ�������ι�˾ 2004-10-20 CN disclosed
EP-1050528-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC (US) 2003-01-22 EP disclosed
US-6335367-B1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds DOW AGROSCIENCES LLC 2002-01-01 US disclosed
CN-1273236-A Fungicide and insecticide benzyloxycyclopropyl substituted aromatic compund fungicide ROHM & HAAS (US) 2000-11-15 CN disclosed
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 EP disclosed