SCHEMBL6934584

SCHEMBL6934584

O=C(C1CC1)C1CC1c1cccc(O)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
SLC9A1 P19634 1/20 0.40
DEGS1 O15121 1/20 0.40
KDM1A O60341 1/20 0.40

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
SCHEMBL4775489 0.81 FFAR1 (0.50) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL28669621 0.81 FFAR1 (0.50) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL25169879 0.81 FFAR1 (0.50) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL28678691 0.81 FFAR1 (0.50) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL8079247 0.81 CHRNB4 (0.48) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL8013432 0.76 MGLL (0.46) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL6940161 0.74 CHRNB4 (0.45) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL23940041 0.73 HTR2A (0.56) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL23923444 0.73 HTR2A (0.56) CHRNB4CHRNA3HTR2AHTR2CHTR2B
SCHEMBL23923443 0.73 HTR2A (0.56) CHRNB4CHRNA3HTR2AHTR2CHTR2B

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 6 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
EP-0889024-B1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM & HAAS (US) 2000-09-13 EP disclosed
US-5945557-A PHENYL DERIVATIVES WHICH POSSESS A SUBSTITUTED CYCLOPROPYL MOIETY; USEFUL AGAINST POWDERY MILDEW, BLIGHT AND OTHER PLATN DISEASES; INSECTICIDES AGAINST SOUTHERN ARMYWORM, MEXICAN BEAN BEETLE AND SPIDER MITES, FOR EXAMPLE ROHM AND HAAS COMPANY (US) 1999-08-31 US disclosed
EP-0889024-A1 Benzyloxy substituted aromatics and their use as fungicides and insecticides ROHM AND HAAS COMPANY (US) 1999-01-07 EP disclosed