SCHEMBL6939424

SCHEMBL6939424

CCC(C)C(=O)C1CC1c1cccc(O)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
KDM1A O60341 1/20 0.41
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
POLB P06746 1/20 0.39
GPR88 Q9GZN0 3/20 0.39
DRD2 P14416 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
KIF11 P52732 1/20 0.38

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
SCHEMBL4773039 0.76 KIF11 (0.49) HTR2AHTR2CHTR2BPOLBKIF11
SCHEMBL25456800 0.76 KIF11 (0.49) HTR2AHTR2CHTR2BPOLBKIF11
SCHEMBL28678691 0.76 FFAR1 (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL25169879 0.76 FFAR1 (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL4775489 0.76 FFAR1 (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL28669621 0.76 FFAR1 (0.50) HTR2AHTR2CHTR2BCHRNB4CHRNA3
SCHEMBL6937906 0.74 HTR2A (0.37) HTR2AHTR2CHTR2BKDM1ACHRNB4
SCHEMBL6940894 0.73 OPRM1 (0.48) HTR2AHTR2CHTR2BDRD2OPRM1
SCHEMBL6934584 0.72 CHRNB4 (0.48) HTR2AHTR2CHTR2BKDM1ACHRNB4
SCHEMBL23923588 0.71 HTR2A (0.56) HTR2AHTR2CHTR2BKDM1ACHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1050528-A1 Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds ROHM AND HAAS COMPANY (US) 2000-11-08 EP disclosed