SCHEMBL7638005

SCHEMBL7638005

Cc1cc(C)c2c(c1)C([Zr]C1C=Cc3c(C)cc(C)cc31)C=C2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.31

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
SCHEMBL27354419 0.73 UGT2B17 (0.32) UGT2B17
SCHEMBL5862209 0.73 UGT2B17 (0.32) UGT2B17
Hydrochloric Acid SCHEMBL27399061 0.72 UGT2B17 (0.31) UGT2B17
Bromide SCHEMBL8024813 0.72 UGT2B17 (0.31) UGT2B17
SCHEMBL16223534 0.72 CYP1A2 (0.31)
Hydrochloric Acid SCHEMBL8038517 0.72 UGT2B17 (0.31) UGT2B17
Hydrochloric Acid SCHEMBL7636969 0.71 UGT2B17 (0.30) UGT2B17
SCHEMBL8024816 0.69
SCHEMBL28330125 0.68 CHRNB2 (0.32)
SCHEMBL7635466 0.64 UGT2B17 (0.31) UGT2B17

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
US-6391991-B1 USING COORDINATION POLYMERIZATION CATALYST BASELL TECHNOLOGY COMPANY BV (NL) 2002-05-21 US disclosed