SCHEMBL7714569

SCHEMBL7714569

[CH2]C(C)C1C2CC3CC(C2)CC1C3

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.33

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
SCHEMBL677067 0.77 MEN1 (0.39) CYP2C9EPHX1EPHX2
SCHEMBL679325 0.72 CYP2C9 (0.41) CYP2C9EPHX1EPHX2
SCHEMBL6655791 0.72 CYP2C9 (0.35) CYP2C9EPHX1EPHX2
SCHEMBL1548216 0.72 SLC22A2 (0.39) CYP2C9EPHX1EPHX2
SCHEMBL25465432 0.72 CYP2C9 (0.35) CYP2C9EPHX1EPHX2
SCHEMBL19655057 0.70 EPHX1 (0.33) CYP2C9EPHX1EPHX2
SCHEMBL10882209 0.70 EPHX1 (0.33) CYP2C9EPHX1EPHX2
SCHEMBL14649672 0.69 EPHX1 (0.33) CYP2C9EPHX1EPHX2
SCHEMBL5410703 0.69 EPHX1 (0.33) CYP2C9EPHX1EPHX2
SCHEMBL24270380 0.67 CYP2C9 (0.40) CYP2C9EPHX2

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
US-6369101-B1 Therapeutic method to treat herpes virus infection REGENTS OF THE UNIVERSITY OF MINNESOTA 2002-04-09 US disclosed
WO-1998034603-A1 USE OF BETULIN AND ANALOGS THEREOF TO TREAT HERPESVIRUS INFECTION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1998-08-13 WO disclosed