SCHEMBL8699542

SCHEMBL8699542

CCC[CH]SC1CCCCCC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
ADH1A P07327 1/20 0.31
SLC2A1 P11166 1/20 0.31
SHBG P04278 1/20 0.30

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
SCHEMBL5892155 0.81 SLC2A1 (0.32) CYP1A2ADH1ASLC2A1SHBG
SCHEMBL7610523 0.73
SCHEMBL6402076 0.69 SLC2A1 (0.41) CYP1A2ADH1ASLC2A1SHBG
SCHEMBL10773675 0.69 SLC2A1 (0.41) CYP1A2ADH1ASLC2A1SHBG
SCHEMBL8699153 0.69 SLC2A1 (0.41) CYP1A2ADH1ASLC2A1SHBG
SCHEMBL6692831 0.68 SLC2A1 (0.31) SLC2A1SHBG
SCHEMBL21670101 0.68 ADH1C (0.33) ADH1ASLC2A1SHBG
SCHEMBL4063215 0.67
SCHEMBL8700399 0.67
SCHEMBL868579 0.65 CYP1A2 (0.39) CYP1A2ADH1ASHBG

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
WO-1998007720-A1 SUBSTITUTED 2-ARYLPYRIDINE AS HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 1998-02-26 WO disclosed