SCHEMBL7047368

SCHEMBL7047368

CC1=Cc2c(C(C)C)cc(C(C)C)cc2C1[Zr]1(C2C(C)=Cc3c(C(C)C)cc(C(C)C)cc32)CC1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 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
Hydrochloric Acid SCHEMBL5152397 0.98 GABRA1 (0.31) GABRA1GABRB2FABP3FABP4
SCHEMBL5185810 0.81 ALDH1A1 (0.30)
SCHEMBL8823389 0.78
SCHEMBL7049527 0.75 FAAH (0.34) GABRA1GABRB2
SCHEMBL5860017 0.74 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL8506274 0.74 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL27506824 0.74 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28407141 0.74 GABRA1 (0.35) GABRA1GABRB2FABP3FABP4FABP5
Hydrochloric Acid SCHEMBL6465147 0.74 FAAH (0.33) GABRA1GABRB2
Hydrochloric Acid SCHEMBL9421533 0.73 GABRA1 (0.34) GABRA1GABRB2FABP3FABP4FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1058694-B1 Catalyst system, method for its production and its use for the polymerisation of olefins BASELL POLYOLEFINE GMBH (DE) 2003-04-09 EP claimed
EP-0545303-B1 Process for preparing high molecular weight polyolefins HOECHST AG (DE) 1997-10-01 EP claimed
US-5929264-A Process for the preparation of substituted indenes and their use as ligand systems for metallocene catalysts TARGOR GMBH (DE) 1999-07-27 US disclosed