SCHEMBL6648232

SCHEMBL6648232

CC(C)Cc1ccccc1-c1cccc2c1C=C[CH]2

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
ELANE P08246 1/20 0.31
CTSG P08311 1/20 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
SCHEMBL6652215 0.82 CSNK2A2 (0.36) GABRA1GABRB2
SCHEMBL6650445 0.79 NR1H2 (0.31) ELANECTSG
SCHEMBL28030816 0.79 DPP4 (0.46)
SCHEMBL197723 0.77 GABRA1 (0.56) GABRA1GABRB2ELANECTSG
SCHEMBL6650685 0.77 NR1H2 (0.38) ELANECTSG
SCHEMBL6655218 0.76 DPP4 (0.36) GABRA1GABRB2
SCHEMBL6651510 0.74 TSHR (0.42)
SCHEMBL28041352 0.74 DPP4 (0.45)
SCHEMBL6649547 0.73 HTR7 (0.35)
SCHEMBL28425675 0.71 HTR7 (0.34)

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
EP-1421090-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM Exxonmobil Chemical Patents Inc. (US) 2004-05-26 EP disclosed
WO-2003002583-A2 METALLOCENES AND CATALYST COMPOSITIONS DERIVED THEREFROM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-09 WO disclosed