SCHEMBL3367336

SCHEMBL3367336

[CH]=CCCC(C)C1CCCC1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.34
SHBG P04278 1/20 0.34

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
SCHEMBL6565885 0.77 GLA (0.36) EPHX1SHBG
SCHEMBL21695690 0.77 EPHX1 (0.34) EPHX1SHBG
SCHEMBL135096 0.73 SHBG (0.44) EPHX1SHBG
SCHEMBL6565919 0.72 HIF1A (0.35) EPHX1SHBG
SCHEMBL10729418 0.71 EPHX1 (0.42) EPHX1SHBG
SCHEMBL135097 0.71 SHBG (0.48) EPHX1SHBG
SCHEMBL27859422 0.71 SHBG (0.48) EPHX1SHBG
SCHEMBL8009642 0.71 SHBG (0.37) EPHX1SHBG
SCHEMBL5545142 0.71 SHBG (0.37) EPHX1SHBG
SCHEMBL25568097 0.71 SHBG (0.37) EPHX1SHBG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776349-B1 2-AMINO-QUINAZOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-10-06 EP disclosed